[ CAS No. 3637-01-2 ] {[proInfo.proName]}

Name: 3637-01-2|3',4'-Dimethylacetophenone|98%
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Quality Control of [ 3637-01-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 3637-01-2 ]

Product Details of [ 3637-01-2 ]

CAS No. :	3637-01-2	MDL No. :	MFCD00008743
Formula :	C₁₀H₁₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WPRAXAOJIODQJR-UHFFFAOYSA-N
M.W :	148.20	Pubchem ID :	77193
Synonyms :

Calculated chemistry of [ 3637-01-2 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.3
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	46.57
TPSA :	17.07 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.12
Log Po/w (XLOGP3) :	2.21
Log Po/w (WLOGP) :	2.51
Log Po/w (MLOGP) :	2.4
Log Po/w (SILICOS-IT) :	3.11
Consensus Log Po/w :	2.47

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.49
Solubility :	0.481 mg/ml ; 0.00324 mol/l
Class :	Soluble
Log S (Ali) :	-2.2
Solubility :	0.929 mg/ml ; 0.00627 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.49
Solubility :	0.0483 mg/ml ; 0.000326 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 3637-01-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H317-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 3637-01-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 3637-01-2 ]
Downstream synthetic route of [ 3637-01-2 ]

[ 3637-01-2 ] Synthesis Path-Upstream 1~6

1
[ 95-47-6 ]
[ 75-36-5 ]
[ 2142-71-4 ]
[ 3637-01-2 ]

Reference： [1] Bulletin of the Korean Chemical Society, 2010, vol. 31, # 11, p. 3156 - 3158

2
[ 95-47-6 ]
[ 64-19-7 ]
[ 2142-71-4 ]
[ 3637-01-2 ]

Reference： [1] Tetrahedron, 1985, vol. 41, # 8, p. 1479 - 1508

3
[ 3637-01-2 ]
[ 934-80-5 ]

Reference： [1] Justus Liebigs Annalen der Chemie, 1921, vol. 425, p. 308
[2] Journal of the American Chemical Society, 1958, vol. 80, p. 2896

4
[ 2142-73-6 ]
[ 5379-16-8 ]
[ 3637-01-2 ]

Reference： [1] Journal of the Chemical Society, 1944, p. 232,235

5
[ 3637-01-2 ]
[ 17283-16-8 ]

Reference： [1] Bulletin of the Chemical Society of Japan, 2009, vol. 82, # 2, p. 254 - 260
[2] Patent: US2479295, 1946, ,
[3] Patent: GB869504, 1959, ,

6
[ 3637-01-2 ]
[ 50419-58-4 ]

Reference： [1] Acta Chemica Scandinavica (1947-1973), 1967, vol. 21, p. 983 - 992

[ 3637-01-2 ] Synthesis Path-Downstream 1~55

1
[ 142472-16-0 ]
[ 3637-01-2 ]

Yield	Reaction Conditions	Operation in experiment
	With alkaline solution

Reference： [1]Behal; Auger [Bulletin de la Societe Chimique de France, 1893, vol. <3> 9, p. 699]

2
[ 91-56-5 ]
[ 3637-01-2 ]
[ 20389-06-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide
		R.5 Synthesis of 2-(3',4'-dimethylphenyl)quinoline-4-carboxylic Acid Reference Example 5 Synthesis of 2-(3',4'-dimethylphenyl)quinoline-4-carboxylic Acid The above-mentioned compound (4.35 g) was formed from 2.0 g of isatin and 4.0 g of 3,4-dimethylacetophenone in the same manner as in Reference Example 1. 1 H-NMR(DMSO-d6), δ: 2.32(s, 3H), 2.37(s, 3H),7.33(d, 1H), 7.64-7.68(m, 1H), 7.70-7.86(m, 1H), 8.00-8.17(m, 3H), 8.43(s, 1H), 8.65(d, 1H)

Reference： [1]Buu-Hoi et al. [Journal of Organic Chemistry, 1953, vol. 18, p. 1209,1219]
[2]Current Patent Assignee: MITSUI CHEMICALS,INC. - US5627193, 1997, A

3
[ 95-47-6 ]
[ 108-24-7 ]
[ 3637-01-2 ]

Yield	Reaction Conditions	Operation in experiment
9.8%	With Amberlyst 1 6 WET; at 110℃; for 24h;	Example 8: Acylation of 1 ,2-dimethylbenzene: batch (discontinuous) manner In a 100 ml_ flask being equipped with a water separator 1 0 g (94 mmol) of 1 ,2-dimethylbenzene (o-xylene), 20.9 g (102 mmol) acetic anhydride and 6.2 g of Amberlyst 1 6 WET (Dow Chemicals) have been added. The mixture was then heated up under stirring to a temperature of 1 10 . After 24 hours reaction time the reaction mixture was analysed by gas chromatography. Conversion of 1 ,2- dimethylbenzene was 66.3 % and the selectivity to 3,4-dimethylacetophenone was 9.8% (yield = 6.5%).

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 409 - 412
[2]Bulletin of the Chemical Society of Japan,1995,vol. 68,p. 2053 - 2060
[3]Journal of Sulfur Chemistry,2011,vol. 32,p. 463 - 473
[4]Tetrahedron Letters,2002,vol. 43,p. 6331 - 6333
[5]Patent: WO2015/1032,2015,A1 .Location in patent: Page/Page column 18; 19
[6]Chemical and pharmaceutical bulletin,1960,vol. 8,p. 867 - 870
[7]Chemical Communications,1996,p. 183 - 184
[8]Bulletin of the Chemical Society of Japan,2000,vol. 73,p. 2325 - 2333
[9]Patent: US2816934,1950,

4
[ 95-47-6 ]
[ 75-36-5 ]
[ 3637-01-2 ]

Reference： [1]Advanced Synthesis and Catalysis,2010,vol. 352,p. 3031 - 3044
[2]Synthesis,2003,p. 2877 - 2881
[3]Chinese Chemical Letters,2010,vol. 21,p. 1395 - 1398
[4]Advanced Synthesis and Catalysis,2004,vol. 346,p. 599 - 602
[5]Tetrahedron Letters,2008,vol. 49,p. 2625 - 2627
[6]Synthetic Communications,2011,vol. 41,p. 953 - 955
[7]Journal of the American Chemical Society,1942,vol. 64,p. 417,422
[8]Journal of the American Chemical Society,1946,vol. 68,p. 1085,1086
[9]Acta Chemica Scandinavica (1947),1967,vol. 21,p. 983 - 992
[10]Journal of Medicinal Chemistry,1989,vol. 32,p. 1098 - 1108
[11]Organic and Biomolecular Chemistry,2004,vol. 2,p. 2442 - 2450
[12]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 4649 - 4659

5
[ 17356-08-0 ]
[ 3637-01-2 ]
[ 104296-00-6 ]

Yield	Reaction Conditions	Operation in experiment
	With iodine; benzene

Reference： [1]Mahapatra [Journal of the Indian Chemical Society, 1956, vol. 33, p. 527,530]

6
[ 50-00-0 ]
[ 6091-44-7 ]
[ 3637-01-2 ]
[ 79219-37-7 ]

Reference： [1]British Journal of Pharmacology and Chemotherapy,1958,vol. 13,p. 424,427

7
[ 3637-01-2 ]
[ 15089-82-4 ]

Reference： [1]Acta Chemica Scandinavica (1947),1967,vol. 21,p. 983 - 992
[2]Canadian Journal of Chemistry,1975,vol. 53,p. 1570 - 1578
[3]Acta Chemica Scandinavica (1947),1967,vol. 21,p. 983 - 992
[4]Patent: CN107286090,2017,A .Location in patent: Paragraph 0018-0020

8
[ 3637-01-2 ]
[ 33967-19-0 ]

Yield	Reaction Conditions	Operation in experiment
88.2%	With root of parsley (Petroselinum crispum (Mill.) Fuss); In water; at 20℃; for 72h;pH 7.0;Green chemistry; Enzymatic reaction;	General procedure: The plant roots were washed with distilled water and then maintained in a 5% sodium hypochlorite aqueous solution for 20 min, after which they were washed with ethanol, manipulated under a sterile laminar flow cabinet, peeled with a sterilised knife and then cut into small thin slices (approx. 5 mm x 5 mm x 2 mm). In an Erlenmeyer flask (1 L), 100 g of plants cut into pieces and 200 mL of distilled water were added and left on a shaker for 15 min. The substrate <strong>[3637-01-2]1-(3,4-dimethylphenyl)ethanone</strong> (3.4 mmol) was then added dropwise and the mixture was stirred at room temperature for 3 days at 130 rpm. The reaction mixture was filtered through pleated filter paper, tissue pieces were washed with ethyl acetate and extraction of product 1-(3,4-dimethylphenyl)ethanol with ethyl acetate was carried out from the filtrate (3 x 100 mL). The ethyl acetate extract was dried over Na2SO4, filtered over a pleated paper filter and evaporated in vacuum using a rotary vacuum evaporator. The resulting viscous liquid was purified on a silica gel column and eluted using hexane:ethyl acetate (4:1, v/v) to afford the product and the yield was calculated using the conventional formula of weighing the initial and final product.
84%		General procedure: A mixture of acetophenone (1.5mmol), the catalyst (0.01mmol) and propan-2-ol (18,5mL) were stirred at 82C for 10min 1.5mL of 0.1M KOH (0.15mmol) solution in propan-2-ol was added. The solution was stirred at the refluxing temperature. At the desired reaction times, aliquots were withdrawn from reaction vessel. The reaction progress was monitored by GC and 1H NMR. The yields were recorded for an average of two runs.
73%Spectr.	With C24H20B(1-)*C40H43NO2PRuS(1+); isopropyl alcohol; potassium hydroxide; at 80℃; for 8h;Inert atmosphere;Catalytic behavior;	General procedure: In a dry two-necked round bottom flask under an atmosphere of nitrogen were placed an appropriate amount of catalyst 1-5 (0.01 mmol), (0.025 mmol) of KOH and (10 mmol) of aryl ketone in 2-propanol (10 ml) was added and the resulting mixture was refluxed under an atmosphere of nitrogen and the course of the reaction was monitored by 1H NMR analysis. After completion of the reaction, the solvent was removed under reduced pressure. The catalyst was removed by the addition of 15 ml of ether (b.p., 40-60 C) followed by filtration and subsequent neutralization with dilute HCl. The combined organic fractions were dried over anhydrous Na2SO4. The solvent was distilled off to obtain a crude mixture containing ketone and its hydrogenated product. Percentage conversion was calculated by 1H NMR spectra of the crude mixture. The only side product formed is acetone, which is easily removed by distillation during workup.

	With C41H58ClN4Ru(1+)*Cl(1-); isopropyl alcohol; potassium hydroxide; at 82℃; for 0.5h;	General procedure: The tested complex (0.01 mmol; 1 mol%) was dissolved in a solution of KOH (0.1 mmol) and 2-propanol (5 ml) in a two necked flask. The solution was heated to 82 C for 30 min. Subsequently, acetophenone (1 mmol) was added. After the desired reaction time the solution was allowed to cool and quenched with 1M HCl, extracted with CH2Cl2 and the organic phase separated. The reaction progress was monitored by 1H NMR and GC the results for each experiment are averages over two runs.
87%Spectr.	With C34H40Cl2N2Ru; isopropyl alcohol; potassium hydroxide; at 82℃; for 2h;Catalytic behavior;	General procedure: A mixture of acetophenone (1 mmol), the catalyst (0.01 mmol), and KOH (2.0 mmol) was stirred in 2-propanol (5.0 mL) at 82 C for 2 h. At the desired reaction times, aliquots were withdrawn from the reaction vessel tofollow the reaction by 1H NMR spectroscopy. The yields were obtained by integration areas of methyl peaks assigned to acetophenone and racemic 1-phenylethanol. The results for each experiment are averages over two runs.

Reference： [1]RSC Advances,2014,vol. 4,p. 26222 - 26230
[2]Tetrahedron Asymmetry,2017,vol. 28,p. 730 - 733
[3]Journal of Organometallic Chemistry,2016,vol. 807,p. 36 - 44
[4]Journal of the American Chemical Society,1946,vol. 68,p. 1085,1086
[5]Journal fur praktische Chemie (Leipzig 1954),1890,vol. <2> 41,p. 414
Journal fuer Praktische Chemie (Leipzig),1893,vol. <2> 47,p. 420
[6]Helvetica Chimica Acta,1977,vol. 60,p. 1758 - 1780
[7]Collection of Czechoslovak Chemical Communications,1983,vol. 48,p. 60 - 70
[8]Canadian Journal of Chemistry,1985,vol. 63,p. 3442 - 3448
[9]Journal of Medicinal Chemistry,1989,vol. 32,p. 1098 - 1108
[10]Journal of Organometallic Chemistry,2013,vol. 723,p. 26 - 35
[11]Dalton Transactions,2013,vol. 42,p. 7305 - 7311
[12]Inorganic Chemistry,2013,vol. 52,p. 10601 - 10609
[13]Tetrahedron,2013,vol. 69,p. 10669 - 10674
[14]Turkish Journal of Chemistry,2017,vol. 41,p. 29 - 39
[15]Angewandte Chemie - International Edition,2018,vol. 57,p. 12356 - 12359
Angew. Chem.,2018,vol. 130,p. 12536 - 12539,4
[16]Dalton Transactions,2018,vol. 47,p. 17317 - 17328

9
[ 3637-01-2 ]
[ 934-80-5 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1921,vol. 425,p. 308
[2]Journal of the American Chemical Society,1958,vol. 80,p. 2896

10
[ 3637-01-2 ]
[ 91817-69-5 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 6144 - 6147
[2]Zhurnal Obshchei Khimii,1947,vol. 17,p. 497,498, 499
Chem.Abstr.,1948,p. 881
[3]Journal of the Chemical Society,1893,vol. 63,p. 81
[4]Journal of the American Chemical Society,2015,vol. 137,p. 6746 - 6749
[5]Journal of Organic Chemistry,2016,vol. 81,p. 1401 - 1409
[6]Chemical Communications,2017,vol. 53,p. 3228 - 3231
[7]Organic Letters,2017,vol. 19,p. 1370 - 1373
[8]Chemical Communications,2018,vol. 54,p. 10750 - 10753
[9]Journal of Organic Chemistry,2019,vol. 84,p. 2083 - 2092
[10]Chemistry - A European Journal,2020,vol. 26,p. 5515 - 5521

11
[ 3637-01-2 ]
[ 17283-16-8 ]

Reference： [1]Bulletin of the Chemical Society of Japan,2009,vol. 82,p. 254 - 260
[2]Patent: US2479295,1946,
[3]Patent: GB869504,1959,

12
[ 3637-01-2 ]
[ 619-04-5 ]

Yield	Reaction Conditions	Operation in experiment
86%	With Oxone; trifluoroacetic acid; In 1,4-dioxane; for 10h;Reflux; Green chemistry;	General procedure: To a mixture of acetophenone (100 mg, 1 equiv) or phenylacetylene (1 equiv) in dioxane (5 mL), Oxone (2 equiv) and TFA (2 equiv) were added. The mixture was then heated to reflux for 10 h and then cooled to r.t. H2O (10 mL) was added and the mixture was extracted with EtOAc (2 × 20 mL). The combined organic layers were treated with sat. NaHCO3 solution and the aqueous layer was poured onto crushed ice and treated with 2 M HCl; a colorless solid precipitated out. The precipitate was filtered off and dried in vacuo to give benzoic acid (3a) after column chromatography (silica gel; EtOAc-hexane, 1:9) as a white crystalline solid; yield: 0.096 g (95%) from 1a; mp 122-123 C.

Reference： [1]Advanced Synthesis and Catalysis,2009,vol. 351,p. 1677 - 1684
[2]Synthesis,2015,vol. 47,p. 3161 - 3168
[3]Journal of the American Chemical Society,1931,vol. 53,p. 3184
[4]Yaoxue Xuebao/Acta pharmaceutica Sinica,1956,vol. 4,p. 269,271
Chem.Abstr.,1958,p. 9995
[5]Bulletin de la Societe Chimique de France,1961,p. 2257 - 2269

13
[ 3637-01-2 ]
[ 74319-96-3 ]

Yield	Reaction Conditions	Operation in experiment
	(i) HNO₃, (ii) NaOCl; Multistep reaction;

Reference： [1]Braendstroem,A.; Carlsson,A.I. [Acta Chemica Scandinavica (1947), 1967, vol. 21, p. 983 - 992]

14
[ 917-64-6 ]
[ 22884-95-3 ]
[ 3637-01-2 ]

Reference： [1]Helvetica Chimica Acta,1977,vol. 60,p. 1758 - 1780
[2]Organic Mass Spectrometry,1993,vol. 28,p. 1107 - 1110

15
[ 95-47-6 ]
[ 64-19-7 ]
[ 2142-71-4 ]
[ 3637-01-2 ]

Reference： [1]Tetrahedron,1985,vol. 41,p. 1479 - 1508

16
[ 33499-44-4 ]
[ 3637-01-2 ]
[ 142472-16-0 ]

Yield	Reaction Conditions	Operation in experiment
62%	With sodium hydride In benzene for 6h;

Reference： [1]Choshi; horimoto; Wang; Nagase; Ichikawa; Sugino; Hibino [Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 4, p. 1047 - 1049]

17
[ 3637-01-2 ]
[ 2633-50-3 ]

Yield	Reaction Conditions	Operation in experiment
57%	With pyridinium hydrobromide perbromide; trifluoroacetic acid; In tetrahydrofuran; at 20℃; for 3h;Inert atmosphere;	The 2-bromo-l-arylethanones were prepared by bromination of the corresponding arhylethanones, according to the procedure described for preparing the compound 144A: 1- (3, 4-dimethylphenyl) ethanone (2.5 g, 16.9 mmol) is dissolved under a nitrogen atmosphere in 42 mL of THF at room temperature. Trifluoroacetic acid (1.5 mL, 16.9 mmol) is added followed by pyridinium tribromide (6.5 g, 20.2 mmol) . The solution turns vermilion red and a white precipitate gradually appears. After three hours of stirring at room temperature, the reaction is neutralized by adding 50 mL of water, and then extracted with 100 mL of ethyl acetate. The organic phase is washed with 40 mL of a saturated CuSO4 solution, 40 mL of a saturated NaCl solution, and then dried on magnesium sulfate, filtered and concentrated under reduced pressure. The residue is purified on a column of 130 of silica with a gradient of 0% to 5% ethyl acetate in heptane in order to obtain two batches of 2-bromo-l- (3, 4-dimethyl-phenyl) -ethanone (144A, 57%) .Batch 1: 1.25 g; HPLC: RT = 4.90 min, 90%. Batch 2: 1.90 g; HPLC: RT = 4.90 min, 70%.
	With hydrogen bromide; dimethyl sulfoxide; In ethyl acetate; at 60℃; for 6h;	General procedure: General procedure for products 3: ketone 1 (0.3 mmol), HBr (0.36 mmol), DMSO (0.36 mmol) and EtOAc (1.5 mL) were added to a 25 mL tube with magnetic stirrer bar. The reaction mixture was stirred at 60C (oil bath temperature) for 6 h, then added sodium sulfinates (0.6 mmol) and (HOCH2)2 (1.0 mL) to continue the reaction at 80 oC for 17 h. After the reaction was finished (monitored by TLC), the mixture was cooled to room temperature, quenched with solution of NaHCO3 (10 mL) and extracted with EtOAc (3 10 mL). The combined organic layers were dried over anhydrous MgSO4 and the solvent was removed under vacuum. The crude product was purified by column chromatography (EtOAc/hexanes) on silica gel.
	With phenyltrimethylammonium tribromide; In dichloromethane; at 20℃;	A solution of <strong>[3637-01-2]1-(3,4-dimethylphenyl)ethanone</strong> (20.0 g, 135 mmol) and phenyltrimethylammonium tribromide (50.7 g, 135 mmol) in dichloromethane (200 ml) was stirred overnight at room tem- perature. The ammonium salts were filtered off, and the filter cake was washed with ethyl ace- tate. The filtrate was evaporated under reduced pressure to give 34.40 g (79% of theory, 70% purity) of the title compound, which was directly used for the next step without further purification. 1H-NMR (400 MHz, CDCIs): d [ppm] = 7.74 (s, 1H), 7.70 (d, 1H), 7.23 (d, 1H), 4.42 (s, 2H), 2.32 (s, 3H), 2.31 (s, 3H).

Reference： [1]Patent: WO2010/100139,2010,A1 .Location in patent: Page/Page column 94-95
[2]Journal of the Chemical Society. Perkin transactions I,1999,p. 2421 - 2423
[3]Tetrahedron Letters,2018,vol. 59,p. 3955 - 3957
[4]Patent: WO2019/219517,2019,A1 .Location in patent: Page/Page column 91

18
[ 7732-18-5 ]
[ 7553-56-2 ]
[ 3637-01-2 ]
phosphorus [ No CAS ]
[ 934-80-5 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1890,vol. <2> 41,p. 414
Journal fuer Praktische Chemie (Leipzig),1893,vol. <2> 47,p. 420

19
[ 69849-04-3 ]
Cr(CO)3(o-xylene) [ No CAS ]
[ 2142-71-4 ]
[ 3637-01-2 ]

Reference： [1]Helvetica Chimica Acta,1991,vol. 74,p. 2009 - 2023

20
[ 91817-69-5 ]
[ 2198-54-1 ]
[ 3637-01-2 ]

Yield	Reaction Conditions	Operation in experiment
1: 60% 2: 40%	In 1,2-dichloro-ethane for 5h; Heating;

Reference： [1]Khadilkar, Bhushan M.; Upadhyaya, Dharita J. [Synthetic Communications, 2002, vol. 32, # 12, p. 1867 - 1873]

21
[ 3637-01-2 ]
[ 50419-58-4 ]

Reference： [1]Acta Chemica Scandinavica (1947),1967,vol. 21,p. 983 - 992

22
[ 3637-01-2 ]
[ 80688-36-4 ]

Yield	Reaction Conditions	Operation in experiment
92%	With tris(2,2'-bipyridyl)ruthenium dichloride; dioxane dibromide; sodium L-ascorbate; In acetonitrile; at 20℃; for 8h;Irradiation; Green chemistry;	General procedure: To an oven-dried round bottom flask equipped with a magnetic stir bar was charged with dioxane dibromide (1.1 equiv.), tris(2,2?-bipyridyl)ruthenium(II) chloride (2 mol%), acetoarylone (AA, 1.0 equiv.), sodium ascorbate (3.0 equiv.) and dry CH3CN. The mixture was irradiated under a 5W Blue LED bulb at a distance of 5 cm under open-air atmosphere. After stirring at room temperature for 8-10 h, the solvent was removed under reduced pressure and the residue was purified by either recrystallization or filtration thru short pad silica gel column chromatography using hexane-ethyl acetate mixtures. The purity of the compound was confirmed by IR, 1H and 13CNMR measurements, vide infra.
57%	With water; hydrogen bromide; dimethyl sulfoxide; at 20 - 70℃; for 16h;	<strong>[3637-01-2]3,4-dimethylacetophenone</strong> (13.52 mmol, 2.0 g) was dissolved in dimethyl sulfoxide (13 mL), and 48% hydrobromic acid (5.4 mL) was gradually added at roomtemperature. After 16 hours of stirring at 70C, the reactor was cooled to room temperature. The reaction solution was poured into water and stirred for about 16 hours. The precipitated solid was recovered by filtration, washed with water and dried by means of a vacuum pump to give the desired product as a white solid (1.234 g, yield 57%). ^-NMR (ppm in DMSO-d5)5 7.83-7.80 (multi, 2H) , 7.33 (br.s, 2H, H20) , 7.26 (d, J=7.5 Hz, 1H), 5.96 (br.s, 1H), 2.28 (s, 3H), 2.22 (s, 3H)

Reference： [1]Tetrahedron Letters,2017,vol. 58,p. 658 - 662
[2]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2013,vol. 52,p. 300 - 305
[3]Patent: WO2004/108683,2004,A1 .Location in patent: Page 533
[4]Organic Letters,2014,vol. 16,p. 1152 - 1155
[5]RSC Advances,2014,vol. 4,p. 26258 - 26263
[6]Advanced Synthesis and Catalysis,2017,vol. 359,p. 1933 - 1941

23
[ 3637-01-2 ]
[ 91251-29-5 ]

Yield	Reaction Conditions	Operation in experiment
51%	In ammonium formate;	PREPARATION EXAMPLE 3 Preparation of Benzylamine Derivative Commercially available <strong>[3637-01-2]3,4-dimethylacetophenone</strong> in the amount of 26.1 grams (176 millimoles) was mixed with 35.4 grams (562 millimoles) of ammonium formate, and the resulting mixture was stirred at 180 C. for 5 hours. Thereafter the same procedure as in preparative example 1 was performed to yield a free oil layer. This oil layer was separated and subjected to vacuum distillation under conditions of 68.5 C. and 0.35 mmHg to yield 13.4 grams (89.8 millimoles) of a benzylamine derivative, 3,4-dimethyl-alpha-methylbenzylamine (yield, 51%).
18%		Synthesis of 1-(3,4-dimethylphenyl)ethylamine (A75); 16.4 ml (150.0 mmol) of tetrapropyl orthotitanate were added to a solution of 4.46 g (30.0 mmol) of <strong>[3637-01-2]3,4-dimethylacetophenone</strong> in a 2 M ethanolic ammonia solution (75 ml), and the mixture was stirred for 6 hours at RT. 1.7 g (45.0 mmol) of sodium borohydride were then added, and stirring was continued for a further 16 hours at RT. Thereafter, the reaction solution was poured into a saturated aqueous ammonia solution (75 ml). The precipitate that formed was filtered off with suction, and then washing with ethyl acetate was carried out. The aqueous filtrate was concentrated in vacuo, followed by extraction twice with ethyl acetate. The combined ethyl acetate phases were extracted three times with 2 M hydrochloric acid. The combined aqueous phases were adjusted to pH 11 with a 2 M aq. NaOH solution and then extracted three times with ethyl acetate. The combined organic phases were dried over MgSO4, filtered and concentrated in vacuo. CC (ethyl acetate/MeOH 9:1) yielded 799 mg (5.4 mmol, 18%) of 1-(3,4-dimethylphenyl)ethylamine.1H NMR (400 MHz, DMSO-d6) d ppm 1.20 (d, J=6.6 Hz, 3H) 2.17 (s, 3H) 2.19 (s, 3H) 3.89 (q, J=6.6 Hz, 1H) 6.99-7.07 (m, 2H) 7.08-7.15 (m, 1H)

Reference： [1]Patent: US4680054,1987,A
[2]Patent: US2009/76086,2009,A1 .Location in patent: Page/Page column 11
[3]ChemSusChem,2020,vol. 13,p. 3110 - 3114

24
[ 3637-01-2 ]
[ 100760-03-0 ]

Reference： [1]Synthesis,2007,p. 3877 - 3885
[2]Journal of the American Chemical Society,2014,vol. 136,p. 12261 - 12264

25
[ 6196-95-8 ]
[ 95-65-8 ]
[ 98-86-2 ]
[ 3637-01-2 ]
[ 108-95-2 ]

Yield	Reaction Conditions	Operation in experiment
46%; 50%; 2.7%		In a reactor were placed 1,2-dimethyl-4-(1-phenylethyl)benzene (10 mmol), N-hydroxyphthalimide (1 mmol), azobisisobutyronitrile (0.3 mmol), and acetonitrile (3 mL), followed by stirring at 75C in an atmosphere of oxygen gas under normal pressure for 6 hours. The reaction mixture was cooled to 0C, combined with 0.1-M H2SO4 (10 mL) added dropwise, and stirred for 30 minutes. The reaction mixture was then neutralized with an aqueous ammonia solution and analyzed by gas chromatography to find that there were produced 3,4-dimethylphenol in a yield of 46%, acetophenone in a yield of 50%, 3,4-dimethylacetophenone in a yield of 2.7%, and phenol in a trace amount, with a conversion from 1,2-dimethyl-4-(1-phenylethyl)benzene of 64%.
50%; 50%; 1%		In a reactor were placed 1,2-dimethyl-4-(1-phenylethyl)benzene (10 mmol), N-hydroxyphthalimide (1 mmol), azobisisobutyronitrile (0.3 mmol), and acetonitrile (3 mL), followed by stirring at 75C in an atmosphere of oxygen gas under normal pressure for 6 hours. The reaction mixture was then cooled to 0C, combined with 0.5 g of a cation-exchange resin (trade name: "AMBERLYST 15J"), and stirred for 1 hour. The reaction mixture was analyzed by gas chromatography to find that there were produced 3,4-dimethylphenol in a yield of 50%, acetophenone in a yield of 50%, 3,4-dimethylacetophenone in a yield of 1%, and phenol in a trace amount, with a conversion from 1,2-dimethyl-4-(1-phenylethyl)benzene of 62%.

Reference： [1]Patent: EP1967505,2008,A1 .Location in patent: Page/Page column 14
[2]Patent: EP1967505,2008,A1 .Location in patent: Page/Page column 14

26
[ 3637-01-2 ]
[ 1216048-89-3 ]
[ 55860-35-0 ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; cobalt(II) diacetate tetrahydrate; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione In acetic acid at 120℃; for 6h;

Reference： [1]Location in patent: experimental part Nakamura, Ryota; Obora, Yasushi; Ishii, Yasutaka [Advanced Synthesis and Catalysis, 2009, vol. 351, # 10, p. 1677 - 1684]

27
[ 134670-30-7 ]
[ 3637-01-2 ]
[ 1288982-98-8 ]

Yield	Reaction Conditions	Operation in experiment
76%	With sodium hydroxide; In ethanol; water; at 27℃; for 4h;	Example 8(£)-l-(3,4-dimethylphenyl)-3-(6-(4-fluorophenyl) imidazo [2,1-6] thiazol-5-yl)prop-2-en- l-one(9e)To a stirred solution of 3,4-dimethylphenyl acetophenone (148 mg, 1,0 mmol) and a 6-(4- fluorophenyl) imidazo [2,1- b] thiazol-5-carbaldeyde (246 mg, 1.0 mmol) in ethanol (20ml) 10% aqueous solution of NaOH was added (5ml). The reaction mixture was stirred at room temperature 27C for 4 h and the reaction was monitored by TLC using ethyl acetate-hexane (3:7) as a solvent system. The solvent was evaporated under vacuum then the residue was dissolved in ethylacetate / water. The organic layer was washed with brine and evaporated. This was further purified by column chromatography using ethyl acetate: hexane (2:8) as a solvent system to obtain the pure product (9e) as yellow solid (286 mg, 76% yield). Mp: 210-213 C 4211H NMR (CDC13, 300 MHz), delta 2.34 -2.36 (b, 6H), 7.06 (dd, 2H, J= 4.53 Hz ), 7.14- 7.19 (m, 2H ), 7.23 (d, 1H J= 15.10 Hz), 7.22 -7.27 (m, 3H ), 7.65-7.74 (m,4H),7.87 (d,lH,/=4.53Hz) 7.99 (d,lH,J=15.10 Hz) ,ESI-MS:377.45 (M+H)+.

Reference： [1]Patent: WO2011/45646,2011,A1 .Location in patent: Page/Page column 20-21

28
[ 906457-43-0 ]
[ 3637-01-2 ]
[ 1308656-26-9 ]

Yield	Reaction Conditions	Operation in experiment
77%	With potassium hydroxide; In ethanol; water; at 20℃;	General procedure: The chalcones were synthesized by a base catalyzed Claisen-Schmidt condensation reaction of substituted acetophenones and (B) (Scheme 1). An EtOH solution of substituted acetophenones (1.0 equiv) and (B) (1.0 equiv) was added with 50% KOH (2.5 equiv). The reaction mixture was stirred overnight at room temperature; the pH was adjusted to 3-4 with aq 2 M HCl solution; the precipitate was collected by filtration and purified by recrystallization in EtOH.

Reference： [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 2688 - 2695

29
[ 616-38-6 ]
[ 3637-01-2 ]
[ 676348-54-2 ]

Yield	Reaction Conditions	Operation in experiment
97%	With sodium hydride; In toluene; for 4h;Inert atmosphere; Reflux;	General procedure: To a dried three-necked flask equipped with a dropping funnel, a condenser, and a magnetic stirrer, dimethyl carbonate 5 (2 eq), NaH 60% (2.8 eq) and dry toluene (2 M) were added. The mixture was heated to reflux under nitrogen. A solution of the corresponding aryl-methyl-ketone (4a-h) (1 eq) in dry toluene (2 M) was added dropwise over 1 h. The resulting reaction mixture was refluxed for 3 h, and then was cooled to 0 C and glacial acetic acid was added dropwise until pH 4. The solid obtained was filtered and subsequently dissolved in hot water. The aqueous phase was extracted with EtOAc(×3). The combined organic layers were washed with brine, dried over sodium sulphate, and concentrated in vacuo to give the desired Aryl beta-Keto ester, which was pure enough to be used for the next step without purification.

Reference： [1]Molecules,2015,vol. 20,p. 17275 - 17287
[2]Chemistry - A European Journal,2013,vol. 19,p. 4701 - 4706
[3]Journal of Agricultural and Food Chemistry,2010,vol. 58,p. 2664 - 2667
[4]Angewandte Chemie - International Edition,2017,vol. 56,p. 9577 - 9581
Angew. Chem.,2017,vol. 129,p. 9705 - 9709,5

30
[ 95-47-6 ]
[ 75-36-5 ]
[ 2142-71-4 ]
[ 3637-01-2 ]

Reference： [1]Bulletin of the Korean Chemical Society,2010,vol. 31,p. 3156 - 3158

31
[ 1195621-94-3 ]
[ 3637-01-2 ]
[ 1365620-79-6 ]

Yield	Reaction Conditions	Operation in experiment
12.8%	Stage #1: 3,4-dimethylacetophenone With sodium hydroxide In ethanol; water for 0.0833333h; Stage #2: 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde In ethanol; water at 20℃;

Reference： [1]Qiao, Zhitao; Wang, Qi; Zhang, Fenglong; Wang, Zhongli; Bowling, Tana; Nare, Bakela; Jacobs, Robert T.; Zhang, Jiong; Ding, Dazhong; Liu, Yangang; Zhou, Huchen [Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3553 - 3557]

32
[ 3637-01-2 ]
[ 1080064-50-1 ]
[ 1212186-90-7 ]

Yield	Reaction Conditions	Operation in experiment
83% ee	Stage #1: 3,4-dimethylacetophenone With 2-Hydroxybenzylamine; C₂₄H₃₄N₂O₂ In toluene at 110℃; for 72h; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 20℃; for 24h; Overall yield = 44 %;

Reference： [1]Xie, Ying; Pan, Hongjie; Xiao, Xiao; Li, Songlei; Shi, Yian [Organic and biomolecular chemistry, 2012, vol. 10, # 45, p. 8960 - 8962,3] Xie, Ying; Pan, Hongjie; Xiao, Xiao; Li, Songlei; Shi, Yian [Organic and Biomolecular Chemistry, 2012, vol. 10, # 45, p. 8960 - 8962]

33
3,4‐dimethylbenzaldoxime [ No CAS ]
[ 3637-01-2 ]

Reference： [1]RSC Advances,2013,vol. 3,p. 22918 - 22921

34
[ 33967-19-0 ]
[ 3637-01-2 ]

Yield	Reaction Conditions	Operation in experiment
88%	With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium acetate; (S)-3-phenyl-2-(phenylamino)propionic acid; copper(ll) bromide; In water; for 5h;Reflux; Schlenk technique;	General procedure: A mixture of 1-phenethyl alcohol (1.0 mmol), N-(phenyl)phenylalanine(0.0241 g, 0.1 mmol), CuBr2 (0.0223 g, 0.1 mmol),NaOAc (0.1640 g, 2.0 mmol), TEMPO (0.0156 g, 0.1 mmol), andH2O (3.0 mL) were placed into a 100 mL Schlenk tube, whichwas vigorously stirred in air under reflux for 12 h. After thereaction, the product was extracted with CH2Cl2 (3 × 2.0 mL).The combined organic phase was washed with H2O (3.0 mL) anddried over anhydrous MgSO4. After concentration undervacuum, the residue was purified by column chromatography toafford acetophenone.Isolated yield: 0.1080 g (90%).

Reference： [1]Organic Letters,2013,vol. 15,p. 5698 - 5701
[2]Synlett,2015,vol. 26,p. 779 - 784

35
[ 623-27-8 ]
[ 3637-01-2 ]
[ 1580496-66-7 ]

Yield	Reaction Conditions	Operation in experiment
78%	With sodium hydroxide; In ethanol; at 20℃; for 0.166667h;	General procedure: Substituted ketone (5 mmol) and NaOH (0.2 g, 5 mmol) were dissolved in ethanol (20 mL) in Erlenmeyer flask and stirred at room temperature for 10 min. Aldehyde (3 mmol, 5 mL) was added and the mixture was stirred at room temperature. TLC monitoring, cold aq. 2 M HCl added in the reaction mixture to neutralize it. In most cases, the product was obtained as a pale yellow precipitate after neutralization followed by filtration under vacuum and recrystallized from ethanol.

Reference： [1]European Journal of Medicinal Chemistry,2014,vol. 75,p. 233 - 246

36
[ 555-21-5 ]
[ 587-04-2 ]
[ 3637-01-2 ]
[ 1480644-24-3 ]

Yield	Reaction Conditions	Operation in experiment
44.1%		To a solution of p-nitrophenylacetonitrile (1.0 mmol), m-chlorobenzaldehyde (1.2 mmol) and acetyl chloride (0.4 mL) in CHCl3 (3 mL), TFA (0.40 mol%) was added dropwise in ice bath. After half an hour, <strong>[3637-01-2]3,4-dimethylacetophenone</strong> (1.2 mmol) was added into the mixture at a controlled temperature of 45 . The progress of the reaction was monitored by TLC. On completion, ice water (5 mL) was poured into the reaction mixture and stirred thoroughly before the solution was adjusted to pH 7 with saturated NaHCO3. Subsequently, the reaction mixture was extracted with DCM. The organic layer was dried over Na2SO4, and filtered. The filtrate was evaporated under reduced pressure. The crude product obtained was recrystallized from a mixture of ethyl acetate/petroleum (ratio of volume, 1/3) or in methanol to afford the pure product. Pink Purple powder; yield: 44.1% (in CHCl3) and 35.5% (in DCM). 1H NMR (600 MHz, DMSO-d6): delta 2.28(d, J = 2.40 Hz, 6H, Ar-CH3), 3.36-3.60(m, 4H, COCH2CH andNHCOCH2), 5.33-5.36(m, 1H, CHN), 7.27-7.35(m, 4H, Ar-H), 7.38(s, 1H, Ar-H), 7.47(d, J = 8.40 Hz, 2H,Ar-H), 7.70(d, J = 7.80 Hz, 1H, Ar-H), 7.73(s, 1H, Ar-H), 8.13(d, J = 9.00 Hz, 2H, Ar-H), 8.70(d, J = 7.80Hz, 1H, NH ). 13C NMR (151 MHz, DMSO-d6): delta 196.4, 168.3, 146.2, 145.4, 144.3, 142.5, 136.7, 134.4,133.0, 130.3, 130.2, 129.7, 129.0, 126.9, 126.4, 125.8, 125.4, 123.2, 48.9, 44.0, 41.9, 19.6, 19.3. HR MScalcd for C25H23ClN2O4Na 473.1244, found 473.1238.

Reference： [1]Synthetic Communications,2014,vol. 44,p. 170 - 180

37
[ 66-77-3 ]
[ 3637-01-2 ]
[ 1586006-45-2 ]

Yield	Reaction Conditions	Operation in experiment
54.6%	With potassium hydroxide; In ethanol; water; at 0 - 20℃;Inert atmosphere;	General procedure: To a stirred solution of KOH (2.0 g, 46 mmol) in water (5mL) cooled to 0 C in an ice bath was added dropwise a solution of substituted acetophenone (1.0 mmol) and 1-naphthalene formaldehyde (2.0 mmol) in ethanol under nitrogen (Guan et al. 2013a; Zhang et al. 2010; Zhao et al.2005) (Scheme 1). The reaction mixture was maintained at room temperature for 6-12 h. The mixture was poured into ice-water, adjusted to pH 2-3 with 1M HCl, and extracted with ether. The ether layer was washed with ice-water and saturated brine, and dried over anhydrous Na2SO4. After solvent removal, products were purified by silica-gel column chromatography (petroleum ether: ethylacetate = 20:1). A yellow solid or oil was obtained. The yield, melting point, and spectral data of compounds were elucidated.

Reference： [1]Medicinal Chemistry Research,2020,vol. 29,p. 877 - 886
[2]Bioorganic and Medicinal Chemistry Letters,2014,vol. 24,p. 2324 - 2328

38
[ 3637-01-2 ]
[ 3392-97-0 ]
(E)-1-(3,4-dimethylphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%		General procedure: A 50 mL flask was charged with substituted acetophenone (5 mmol) and a solution of sodium hydroxide (10 mmol) in a 4:1 (v/v) mixture of ethanol/H2O (25 mL), and the resulting mixture was stirred at room temperature for 5 min. A substituted benzaldehyde (5 mmol) was then added to the reaction, and the resulting mixture was stirred at room temperature. The reaction was then monitored byTLC using ethyl acetate/petroleum ether (1:4 or 1:2 v/v) as the solvent system. Upon completion of the reaction, the crude product was filtered off and recrystallized from a mixture of dichloromethane and ethanol or purified by column chromatography over silica gel eluting with a mixture of petroleum ether and ethyl acetate to give the pure product.

Reference： [1]Molecules,2014,vol. 19,p. 17256 - 17278

39
[ 1779-49-3 ]
[ 3637-01-2 ]
[ 18908-16-2 ]

Yield	Reaction Conditions	Operation in experiment
82%		A solution of potassium tert-butoxide (7.71 g, 68.7 mmol, 0.955 equiv) in dry THF (75 mL) was added dropwise to a stirred suspension of methyltriphenylphosphonium bromide (41.16 g, 115.2 mmol, 1.6 equiv) in dry THF (175 mL) at 0 C. The resulting yellow mixture was stirred for one hour at 0 C and then a solution of <strong>[3637-01-2]3',4'-dimethylacetophenone</strong> (10.7 g, 10.7 mL, 72.0 mmol, 1.0 equiv) in THF was added dropwise and stirred overnight. The mixture was then quenched with saturated aqueous NH4Cl and partitioned between water (25 mL) and diethyl ether (3 * 75 mL). The combined ether phases were washed with brine, dried over MgSO4, filtered, and concentrated. The residue was purified by short column chromatography using silica gel and a hexane mobile phase to afford the title compound as a clear oil. Yield 8.6 g (59 mmol, 82%). 1H NMR (500 MHz, CDCl3): delta 7.18-7.01 (m, 3H), 5.25 (s, 1H), 4.94 (s, 1H), 2.20 (s, 3H), 2.18 (s, 3H), 2.06 (s, 3H); 13C NMR (126 MHz, CDCl3): delta 143.4, 139.0, 136.4, 136.0, 129.6 (-), 126.9 (-), 123.1 (-), 111.6 (+), 22.0 (-), 20.1 (-), 19.6 (-); FTIR (KBr, cm-1): 3084, 3020, 2970, 2941, 2918, 2887, 2862, 1630, 1566, 1504, 1450, 1371, 1020, 995, 881, 822, 733; HRMS (TOF ES): Found 153.1253, calcd for C11H14Li (M+Li) 153.1256 (2.0 ppm).

Reference： [1]Tetrahedron Asymmetry,2014,vol. 25,p. 1537 - 1549
[2]Advanced Synthesis and Catalysis,2016,vol. 358,p. 3130 - 3134
[3]Chemical Communications,2019,vol. 55,p. 7343 - 7345

40
[ 3637-01-2 ]
1-(3,4-dimethylphenyl)ethanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With (S)-N-(2,6-diisopropyl-phenyl)pyrrolidine-2-carboxamide; [ruthenium(II)(eta6-1-methyl-4-isopropyl-benzene)(chloride)(mu-chloride)]2; sodium formate; sodium dodecyl-sulfate; In water; at 80℃; for 2h;	General procedure: The solution of [RuCl2(p-cymene)]2 and chiral piroline ligand in H2O was stirred at 80 C for 1 h. Subsequently, ketone, HCO2Na and SDS were added to the solution. After the desired reaction time, petroleum ether was added to extract the product. The organic phase dried over MgSO4. The yield and enantioselectivity were determined by GC.

Reference： [1]Journal of Organometallic Chemistry,2015,vol. 779,p. 62 - 66

41
[ 12093-10-6 ]
[ 3637-01-2 ]
3-ferrocenyl-1-(3,4-dimethylphenyl)-2-propen-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74%	With potassium hydroxide; In ethanol; at 25℃;	General procedure: The substituted ketone (3 mmol) and KOH(0.2 g) were dissolved in ethanol (5 mL) in a round bottomedflask and stirred at room temperature (25 C) for 10 min. Anethanolic solution of the substituted aromatic aldehyde (3 mmol,5 mL) was added drop wise and the mixture was stirred at roomtemperature. The progress of the reaction was monitored by TLCon silica gel sheets. The reaction was stopped by neutralizingthe stirred solution with 2 M HCl. In most of the cases the productwas obtained as a dark red precipitate after neutralization. It wasthen removed by filtration, washed with water. In the absence ofa precipitate on neutralization, the solution was extracted withethyl acetate (20 mL × 3). The organic layer was dried overanhydrous sodium sulphate and removed by evaporation underreduced pressure to give a liquid residue. The latter was passedthrough a column of silica gel (230-400 mesh) and eluted withTHF-hexane (1:4) to yield pure compound. All the synthesizedcompounds were well characterized by spectroscopic methodssuch as IR, NMR, Mass and elemental analysis and their spectralcharacteristics were found to be in good general agreement withthose found in literature30.

Reference： [1]Asian Journal of Chemistry,2014,vol. 26,p. 8407 - 8412

42
[ 17017-58-2 ]
[ 1576-35-8 ]
[ 3637-01-2 ]
C₃₃H₃₃N₃O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43%	With tert.-butylhydroperoxide; BOC-glycine; iodine; In toluene; at 20 - 60℃; for 15h;Schlenk technique; Inert atmosphere;	General procedure: To a Schlenk tube equipped with a stirred bar a solution of sulfonylhydrazines 1 (0.2 mmol), ketones 2 (0.3 mmol), indoles 3 (0.3 mmol) in toluene (1.0 mL) was added under argon atmosphere at room temperature, followed by adding I2 (20 mol%), TBHP (2.0 equiv) and N-Boc glycine (20 mol%). The reaction mixture was then stirred at 60 C for 15 h. The mixture was concentrated in vacuo to yield the crude product, which was purified by flash chromatography on silica gel (eluent:petroleum ether (PE)/EtOAc, 25:1) to provide the desired [2,3]-fused indolines 4 and 5 as white solids.

Reference： [1]Science China Chemistry,2016,vol. 59,p. 1311 - 1316

43
[ 3637-01-2 ]
[ 100760-07-4 ]

Yield	Reaction Conditions	Operation in experiment
78.6%	With cultivated in vitro normal callus line (N) of sugar beet (Beta vulgaris L. altissima variety F3S52); In water; at 20℃; for 72h;pH 7.0;Green chemistry; Enzymatic reaction;	General procedure: Cell suspensions of sugar beet N and Tz cell lines were filtered and 12 g of cells were transferred to a new 100 mL of liquid medium (water or PG0 medium) and <strong>[3637-01-2]1-(3,4-dimethylphenyl)ethanone</strong> was added (3.4 mmol). The reaction mixture was allowed to mix on a shaker for 3 days at 130 rpm. After completion of the reduction, the reaction mixture was filtered through pleated filter paper, the cells were washed with ethyl acetate, and 1-(3,4-dimethylphenyl)ethanol was extracted from the filtrate by ethyl acetate (3 × 100 mL). The ethyl acetate extract was dried over Na2SO4, filtered over a pleated paper filter and evaporated in a rotary vacuum evaporator. The resulting viscous liquid was purified on a silica gel column and eluted using hexane:ethyl acetate (4:1, v/v) to afford the product and the yield was calculated using the conventional formula of weighing the initial and final product.

Reference： [1]Tetrahedron Asymmetry,2017,vol. 28,p. 730 - 733

44
[ 7570-45-8 ]
[ 3637-01-2 ]
(E)-1-(3,4-dimethylphenyl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
71%	With sodium hydroxide; In ethanol; at 20℃; for 2h;	General procedure: Appropriately substituted acetophenone (1 mmol) and 2a-2i(1 mmol) were dissolved in EtOH (5 mL), 10% NaOH (0.5 mL) wasadded slowly. Then, the solution mixture was stirred at roomtemperature for 2 h. The yellow solid was filtrated. After recrystallizationfrom ethanol, a yellow solid was obtained.

Reference： [1]European Journal of Medicinal Chemistry,2018,vol. 145,p. 498 - 510

45
[ 110-89-4 ]
[ 13162-43-1 ]
[ 3637-01-2 ]
6-(3,4-dimethylphenyl)-2-methyl-4-piperidylpyrrolo[3,2-d]pyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
605 mg (31%)	With stannous chloride; triethylamine; N-ethyl-N,N-diisopropylamine;TiCl4; In N,N-dimethyl-formamide;	EXAMPLE 124 6-(3,4-Dimethylphenyl)-2-methyl-4-piperidylpyrrolo[3,2-d]pyrimidine Hydrochloride Hydrate. Using the method described in Example 30 by employing[1-(3,4-dimethylphenyl)vinyl]pyrrolidine (freshly prepared before use from 3,4-dimethyl acetophenone (Aldrich Chemical Company), pyrrolidine and TiCl4 (1.22 g, 6.07 mmol), <strong>[13162-43-1]2-methyl-4,6-dichloro-5-nitropyrimidine</strong> (Example 76(b)) (1.30 g, 6.07 mmol), N,N-diisopropylethylamine (1.1 mL, 6.07 mmol), piperidine (1.0 mL, 9.7 mmol), NEt3 (1.1 mL) and SnCl2 (18 mL of a 2 M soln in DMF). In this example the reaction mixture was stirred at room temperature for 48 h after the addition of 2 M SnCl2. The residue was mpurified by flash chromatography on silica gel with 95:5 CHCl3/MeOH as eluant to give 605 mg (31%) of 6-(3,4-dimethylphenyl)-2-methyl-4-piperidylpyrrolo[3,2-d]pyrimidine as a beige colored solid. This material (605 mg, 1.88 mmol) was dissolved in 5:1 EtOAc/MeOH (35 mL) and heated to boiling.

Reference： [1]Patent: US6187777,2001,B1

46
[ 51593-69-2 ]
[ 3637-01-2 ]
C₂₀H₁₈O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In ethanol at 20℃;	The synthesis of 3-(2H-chromen-3-yl)-1-(2,4-dichloro)phenyl-prop-2-en-1-one 3g and nineteen 3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichloro)phenylprop-2-en-1-one 4g General procedure: To a solution of 2H-chromene-3-carbaldehyde 1 or 3H-benzo[f]chromene-2-carbaldehyde 2 (1mmol) and 2,4-dichloroacetophenone (1mmol) in absolute ethanol (20mL), NaOH solution (3.5M, 8mL) was added and stirred overnight at room temperature. The reaction mixture was diluted with water and the precipitate was filtered and crystallized from ethanol to give the target compounds.

Reference： [1]Fu, Zhi-Yang; Jin, Qing-Hao; Qu, Yu-Le; Guan, Li-Ping [Bioorganic and Medicinal Chemistry Letters, 2019, vol. 29, # 15, p. 1909 - 1912]

47
[ 120-57-0 ]
[ 3637-01-2 ]
C₁₈H₁₆O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In ethanol; at 20℃; for 10h;	General procedure: Compound 2a,2b (1 mmol) was added to 15 mL absolute ethanol solution with acetophenonederivative (1 mmol) and 40% sodium hydroxide solution (0.5 mmol). The reaction was stirred at roomtemperature for 10 h, and then filtered to aord compound 3a-3z without further purification [34].

Reference： [1]Molecules,2019,vol. 24

48
[ 29668-44-8 ]
[ 3637-01-2 ]
C₁₉H₁₈O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In ethanol; at 20℃; for 10h;	General procedure: Compound 2a,2b (1 mmol) was added to 15 mL absolute ethanol solution with acetophenonederivative (1 mmol) and 40% sodium hydroxide solution (0.5 mmol). The reaction was stirred at roomtemperature for 10 h, and then filtered to aord compound 3a-3z without further purification [34].

Reference： [1]Molecules,2019,vol. 24

49
[ 613-91-2 ]
[ 3637-01-2 ]
benzo[4,5]thieno[3,2-d]thiazol-2-yl(3,4-dimethylphenyl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; sulfur; In dimethyl sulfoxide; at 120℃; for 26h;	Add 0.4 mmol of acetophenone oxime to the reaction tube,0.2 mmol of <strong>[3637-01-2]3,4-dimethylacetophenone</strong>,0.2 millimoles of sulfur,0.2 mmol 1,5,7-azabicyclo [4.4.0] - dec-5-ene,1.0 ml of dimethyl sulfoxide (as solvent),The reaction was stirred for 26 hours under conditions of 120 C and a rotation speed of 700 rpm;Stirring was stopped, 5 mL of water was added and extracted with ethyl acetate 3 times.The combined organic phases were dried over anhydrous magnesium sulfate and using 0.5g, filtered, and concentrated under reduced pressure,Further, it is separated and purified by column chromatography, and the column chromatography eluent used is a mixed solvent of petroleum ether and ethyl acetate.The volume ratio of petroleum ether to ethyl acetate is 100:1,Obtaining a target product (the 2-carbonyl thiazolethiophene compound having luminescent properties),The yield was 80%.

Reference： [1]Patent: CN110078746,2019,A .Location in patent: Paragraph 0145-0153
[2]Organic Letters,2019,vol. 21,p. 9976 - 9980

50
[ 109-63-7 ]
[ 38404-42-1 ]
[ 3637-01-2 ]
C₁₉H₁₉BF₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
18%		NaH (0.40 g, 0.017 mol) was stirred in DMSO (10 mL) at 0 C under 9.1 mmol) in 5 mL DMSO and 3,4-Dimethylacetophenone (1.48 g, 10.0mol) in 5 mL DMSO through a syringe. The reaction mixture was stirredat room temperature for 1 h and then at 30 C for 1 h. After the reactionwas finished, the reaction mixture was poured into cooled aqueous HClsolution slowly and extracted by ethyl acetate. The organic phase wasdried over anhydrous Na2SO4 and the solvent was removed by evaporationunder vacuum to provide a pale yellow solid. The solid was thendissolved in chloroform (15 mL) under nitrogen, followed by addition ofBF3Et2O (2.29 mL, 18.2 mmol) drop by drop through a syringe. Then,the reaction mixture was allowed to stir at room temperature overnightand then quenched by water. The mixture was extracted by dichloromethaneand dried over anhydrous Na2SO4. The obtained crude productwas then subjected to column chromatography to provide a white solid(18%).1H NMR (400 MHz, CDCl3): δ7.93 (s, 2H), 7.88 (dd, J 8.0, 1.7 Hz,2H), 7.30 (d, J 8.0 Hz, 2H), 7.12 (s, 1H), 2.37 (d, J 4.0 Hz, 12H). 13CNMR (100 MHz, CDCl3): δ145.44, 137.75, 130.38, 129.85, 126.60,92.65, 20.36, 19.80. HRMS: calcd for C19H19BF2O2 [MH] 329.1522,found 329.1522.

Reference： [1]Dyes and Pigments,2020,vol. 175

51
[ 17448-14-5 ]
[ 3637-01-2 ]
2-Benzyl-3-(2-(3,4-dimethylphenyl)-2-oxoethyl)isoindolin-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With nickel dichloride; In toluene; at 120℃; for 8h;	In a 100 mL round-bottomed flask, add 2.39 g (10 mmol) of Compound I-1, 2.96 g (20 mmol) of compound II-5, 0.13g (1mmol) of solid NiCl2, Finally add 30mL of dry toluene, The resulting mixture was stirred vigorously at 120 C for 8 hours. After the reaction mixture was cooled to room temperature, Pour into water, stir, extract with 50mL × 3 dichloromethane, Combined extraction of organic phases, Wash once with saturated brine, dry over anhydrous Na2SO4, The solvent was removed by concentration to obtain an oily residue, which was purified by column chromatography to obtain the pure compound III-5. Oily liquid, 3.17 g, yield 86%.

Reference： [1]Patent: CN110467556,2019,A .Location in patent: Paragraph 0039-0041

52
[ 95-47-6 ]
[ 64-19-7 ]
[ 51439-56-6 ]
[ 3637-01-2 ]

Yield	Reaction Conditions	Operation in experiment
1: 60 %Spectr. 2: 6 %Spectr.	Stage #1: o-xylene; acetic acid With trifluoroacetic anhydride In dichloromethane at 20℃; for 0.25h; Stage #2: With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 0.25h;

Reference： [1]Gong, Ming; Kim, Jung Keun; Kovalev, Vladimir V.; Kovaleva, Olga V.; Shokova, Elvira A.; Tafeenko, Viktor A.; Wu, Yangjie [Organic and biomolecular chemistry, 2020, vol. 18, # 29, p. 5625 - 5638]

53
[ 6926-58-5 ]
[ 3637-01-2 ]
2-[1-(3,4-dimethylphenyl)ethylidene]-N,N-dimethylhydrazinecarbo thioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
71%	With acetic acid In ethanol at 70 - 80℃; Reflux;

Reference： [1]Nagoor Meeran; Ravisankar, Narayanan [International Journal of Research in Pharmaceutical Sciences, 2020, vol. 11, # 4, p. 7192 - 7197]

54
[ 3637-01-2 ]
[ 2198-54-1 ]

Yield	Reaction Conditions	Operation in experiment
41%	With nitromethane; trifluoromethylsulfonic anhydride; acetic acid In formic acid at 80 - 120℃;	21 Example 21 3,4-Dimethylacetanilide Take a reaction tube, add 60-100mg (1.2mmol) of nitromethane, 40-50mg (0.3mmol) of 3,4-dimethylacetophenone, 0.5mL of acetic acid,Trifluoromethanesulfonic anhydride 150-200mg (0.6mmol),30-60 mg (0.75 mmol) of formic acid, stirring at 80-120°C for 1-72 hours. After the reaction was completed, 10 mL of sodium hydroxide solution was added to quench the reaction, extracted with ethyl acetate 3 times, the organic phase was washed with 5 mL of brine, and the organic phases were combined and separated by column chromatography to obtain 20.1 mg of 3,4-dimethylacetanilide. The rate is 41%.
41%	With formic acid; nitromethane; trifluoromethylsulfonic anhydride In acetic acid at 100℃; for 12h;

Reference： [1]Current Patent Assignee: PEKING UNIVERSITY - CN112574054, 2021, A Location in patent: Paragraph 0172-0175
[2]Jiao, Ning; Liu, Jianzhong; Qiu, Xu; Song, Song; Wei, Jialiang; Wen, Xiaojin; Zhang, Cheng; Zhang, Ziyao [Science, 2020, vol. 367, # 6475, p. 281 - 285]

55
[ 141-78-6 ]
[ 3637-01-2 ]
[ 51439-56-6 ]

Yield	Reaction Conditions	Operation in experiment
63%	With sodium hydride at 0 - 20℃; for 12h;

Reference： [1]An, Zhenyu; Liu, Yafeng; Yan, Rulong; Zhao, Pengbo [Advanced Synthesis and Catalysis, 2021, vol. 363, # 13, p. 3240 - 3244]

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Code	Phrase
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[ CAS No. 3637-01-2 ] {[proInfo.proName]}

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[ 3637-01-2 ] Synthesis Path-Upstream 1~6

[ 3637-01-2 ] Synthesis Path-Downstream 1~55

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Aryls

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