[ CAS No. 3929-47-3 ] {[proInfo.proName]}

Name: 3929-47-3|3-(3,4-Dimethoxyphenyl)propan-1-ol|97%
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Quality Control of [ 3929-47-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 3929-47-3 ]

Product Details of [ 3929-47-3 ]

CAS No. :	3929-47-3	MDL No. :	MFCD00002951
Formula :	C₁₁H₁₆O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZISWRXJZUKDIOO-UHFFFAOYSA-N
M.W :	196.24	Pubchem ID :	77528
Synonyms :

Calculated chemistry of [ 3929-47-3 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	55.17
TPSA :	38.69 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) :	-6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.41
Log Po/w (XLOGP3) :	1.38
Log Po/w (WLOGP) :	1.63
Log Po/w (MLOGP) :	1.51
Log Po/w (SILICOS-IT) :	2.4
Consensus Log Po/w :	1.87

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.91
Solubility :	2.4 mg/ml ; 0.0122 mol/l
Class :	Very soluble
Log S (Ali) :	-1.8
Solubility :	3.14 mg/ml ; 0.016 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.3
Solubility :	0.0993 mg/ml ; 0.000506 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.58

Safety of [ 3929-47-3 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3929-47-3 ]

* 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 [ 3929-47-3 ]
Downstream synthetic route of [ 3929-47-3 ]

[ 3929-47-3 ] Synthesis Path-Upstream 1~1

1
[ 3929-47-3 ]
[ 13575-75-2 ]

Reference： [1] Journal of Medicinal Chemistry, 1966, vol. 9, p. 27 - 29

[ 3929-47-3 ] Synthesis Path-Downstream 1~88

1
[ 3929-47-3 ]
[ 20716-22-7 ]

Yield	Reaction Conditions	Operation in experiment
95%	With nitric acid; In dichloromethane; at 0℃; for 0.5h;	Example 3: A general experimental procedure for the preparation of o-nitrohydrocinnamyl alcohol (8b-e) To a stirred solution of alcohol 7b-e (10 mmol) in CH2CI2 (40 mL), cone. HNO3 (2 mL, d =1.4) was added dropwise at 0 C. Reaction mixture was stirred for 30 min and the progress of reaction was monitored by TLC. After completion of reaction, 50 mL of water was added. Organic layer was separated and aqueous layer was extracted with CH2CI2 (2 x 50 mL). Combined organic layers were washed with brine (50 mL), dried over anhydrous Na2S04 and then passed through a thick pad of silica gel (230-400 mesh) with CH^C^ as eluent. The organic layer was concentrated under reduced pressure to give 8b-e in pure form. Example 4: 3-(4,5-Dimethoxy-2-nitrophenyl)propan-1 -ol (8b) Yield: 95% (2.3 g); gum, IR (CHCl3): umax 745, 945, 1 120, 1378, 3412 cm"1; 1H NMR (200 MHz, CDCI3): 1.87-1 .95 (m, 2H), 2.97-3.05 (m, 2H), 3.71 (t, J = 6.2 Hz, 2H), 3.92 (s, 3H), 3.94 (s, 3H), 6.74 (s, 1 H), 7.57 (s, 1 H); 3C NMR (50 MHz, CDCl3): δ 30.1 , 33.5, 56.2, 61 .9, 108.2, 113.4, 132.4, 141.2, 147.2, 153.0; Anal. Calcd for C H15N05 requires C, 54.77; H, 6.27; N, 5.81 ; found C, 54.86; H, 6.33; N, 5.87%.
95%	With nitric acid; In dichloromethane; at 0℃; for 0.5h;	General procedure: To a stirred solution of alcohol 7b-e (10 mmol) in CH2Cl2 (40 mL), conc. HNO3 (2 mL, d=1.4) was added dropwise at 0 C. Reaction mixture was stirred for 30 min and the progress of reaction was monitored by TLC. After completion of reaction, 50 mL of water was added. Organic layer was separated and aqueous layer was extracted with CH2Cl2 (2×50 mL). Combined organic layers were washed with brine (50 mL), dried over anhydrous Na2SO4 and then passed through a thick pad of silica gel (230-400 mesh) with CH2Cl2 as eluent. The organic layer was concentrated under reduced pressure to give 8b-e in pure form.

Reference： [1]Patent: WO2013/140419,2013,A1 .Location in patent: Page/Page column 22
[2]Patent: US2015/38714,2015,A1 .Location in patent: Paragraph 0044; 0059; 0060
[3]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1959,p. 2218,2223; engl. Ausg. S. 2114, 2117, 2118
[4]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1964,p. 1163 - 1166
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1964,p. 1254 - 1260

2
[ 5462-13-5 ]
[ 3929-47-3 ]

Reference： [1]Drug Development Research,2021,vol. 82,p. 789 - 801
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 584 - 589
[3]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1959,p. 2218,2223; engl. Ausg. S. 2114, 2117, 2118

3
[ 3929-47-3 ]
[ 3945-85-5 ]

Yield	Reaction Conditions	Operation in experiment
99%	With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0℃; for 1h;	Triphenylphosphine (802 mg, 3.06mmol) and N-bromosuccinimide (544 mg, 3.06 mmol) were added to a solution of 3-(3,4-Dimethoxyphenyl)-1-propanol (500 mg, 2.55 mmol) in CH2Cl2 (10 mL) at 0 C under nitrogenatmosphere. The reaction mixture was stirred at 0 C for 1 h. The reaction was quenched with saturated aqueous solution of NaHCO3 (10 mL) and extracted from theaqueous phase with MC (10 mL x 3). The organic layer was dried over sodium sulfate and evaporated under reduced pressure. The residue was purified by flash column chromatography(40% EtOAc/hexane) to yield 655 mg (2.53 mmol, 99%) of 4-(3-bromopropyl)-1,2-dimethoxybenzene as a colorless oil: 1H NMR (400 MHz, CDCl3) δ 2.06-2.13 (m, 2H),2.68 (t, J = 7.3 Hz, 2H), 3.34 (t, J = 6.5 Hz, 2H), 3.81 (s, 3H), 3.83 (s, 3H), 6.69-6.71 (m, 2H),6.76 (d, J = 8.5 Hz, 1H); 13C NMR(100 MHz, CDCl3) δ 33.03, 33.36, 34.17, 55.69, 55.76, 111.23,111.74, 120.27, 132.93, 147.29, 148.78; MS (EI) 258 (M+), 260 (M+), 151 (100); HRMS (EI) calcdfor C11H1579BrO2 (M+) 258.0255, found 258.0254.
87%	With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0℃; for 2h;	After 3 (7.60 g, 38.73 mmol) was dissolved in dichloromethane (DCM) (50 mL), along with CBr4 (13.50 g, 40.67 mmol), the reaction mixture was cooled to 0C, and PPh3 (10.68 g, 40.67 mmol) was added slowly. The resultant reaction solution was stirred for 2 h,and the reaction solvents were removed under reduced pressure. The residue was purified by flash column chromatography (petroleumether/EtOAc) to produce a colorless oil (4, 8.72 g, 87%).
84%	With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0℃; for 4h;	To a solution of <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)propan-1-ol</strong> (3.6 g, 18.36 mmol) and CBr4 (6.09 g, 18.36 mmol) in DCM (20 mL) was added PPh3 (4.7 g, 18 mmol) and the reaction was stirred at 0 oC for 4 hrs. The reaction mixture was poured into H2O (100 mL) and extracted with DCM (50 mL x 3). The combined DCM layers were washed with brine (150 mL), dried over Na2SO4 and concentrated to dryness in vacuum. The residue was purified by silica gel column (PE/EA = 7/1) to give 4-(3-bromopropyl)-1,2-dimethoxybenzene (4 g, yield: 84%) as a colorless oil.

		EXAMPLE 24A 1-Bromo-3-(3,4-dimethoxyphenyl)propane The title compound was prepared from <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong> as described in Journal of the American Chemical Society, 95, 8749 (1973), which is incorporated herein by reference, to provide the title compound. MS (DCI/NH3) m/e 276 (M+NH4)+.
	With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 20℃; for 16h;Ice-cooling;	(18-2) Synthesis of 1-(3-bromopropyl)-3,4-dimethoxybenzene (compound 18-2) Compound 18-1 (2.00 g) was dissolved in methylene chloride (50 ml), triphenylphosphine (2.97 g) and N-bromosuccinimide (1.99 g) were added under ice-cooling, and the mixture was stirred under ice-cooling for 1 hr, and further at room temperature for 15 hr. The reaction mixture was washed with water and saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure. Diethyl ether (100 ml) was added, and the precipitated triphenylphosphine oxide was filtered off. The concentrate of the filtrate was purified by silica gel column chromatography (hexane:ethyl acetate=5:1 - 3:1) to give the object product (2.17 g) as a pale-brown oil. 1H-NMR(CDCl3) δ (ppm): 2.11-2.18(2H, m), 2.73(2H, t, J=7.3Hz), 3.40(2H, t, J=6.5Hz), 3.86(3H, s), 3.88(3H, s), 6.72-6.75(2H, m), 6.79-6.81(1H, m).

Reference： [1]Molecules,2021,vol. 26
[2]Journal of Organic Chemistry,2022,vol. 87,p. 4291 - 4297
[3]Synthesis,2009,p. 715 - 720
[4]Chemistry - A European Journal,2019,vol. 25,p. 1936 - 1940
[5]Farmaco, Edizione Scientifica,1985,vol. 40,p. 730 - 744
[6]European Journal of Medicinal Chemistry,2019
[7]Patent: WO2021/21953,2021,A2 .Location in patent: Paragraph 00183
[8]Chemische Berichte,1978,vol. 111,p. 2594 - 2604
[9]Tetrahedron,1962,vol. 18,p. 1063 - 1072
[10]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29
[11]Patent: US6258822,2001,B1
[12]Patent: EP2168944,2010,A1 .Location in patent: Page/Page column 59

4
[ 2107-70-2 ]
[ 3929-47-3 ]

Yield	Reaction Conditions	Operation in experiment
100%	With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 75℃; for 1.5h;	To a solution of 3-(3,4-dimethoxyphenyl)-propionic acid (0.50 g, 2.38 mmol) in 10 mL THF, (CH3)2SBH3 (0.3 mL, 3.57 mmol) was added at 0 C and the mixture was stirred at 75 C for 1.5 h. After the completion of the reaction, excess of (CH3)2SBH3 was quenched by addition of CH3OH at 0 C and then the solvent was evaporated in vacuo. The product was used in the following step without further purification (0.47 g, 100%). 'H NMR (300 MHz, CDCb) d: 6.80 - 6.71 (m, 3H, AT-H), 3.85 (s, 3H, -OC//3), 3.84 (s, 3H, -OC//3), 3.66 (t, = 6.4 Hz, 2H, -C//2OH), 2.64 - 2.62 (m, 2H, -C//2CH2CH2OH), 1.91 - 1.81 (m, 2H, -CH2C//2CH20H).13C NMR (75 MHz, CDCI3) d: 148.9, 147.2, 134.5, 120.2, 11 1.8, 1 1 1.3, 62.3, 56.0, 55.9, 34.5, 31.8. MS m/z: 196.91 (M+H)+, 218.99 (M+Na)+, 414.67 (2M+Na)+
92%	With dimethylsulfide borane complex; In tetrahydrofuran; at 0℃; for 4h;Inert atmosphere;	To a solution of 3-(3,4-dimethoxyphenyl)propanoic acid (4.2 g, 20 mmol) in THF (20 mL) was added BH3-DMS (10M, 2.2 mL, 22 mmol) and the reaction was stirred at 0 oC under N2 for 4 hrs. The reaction mixture was quenched with MeOH (5 mL) and concentrated to dryness in vacuum. After that, the dry mixture was poured into H2O (100 mL) and extracted with DCM (50 mL x 3). The combined DCM layers were washed with brine (100 mL), dried over Na2SO4 and concentrated to give 3-(3,4-dimethoxyphenyl)propan-1-ol (3.6 g, yield: 92%) as a colorless oil.
88.6%	With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 0 - 60℃; for 10h;	Compound 3a (11.0 g, 52.3 mmol) was dissolved in 80 ml of tetrahydrofuran and precooled in a 0 C low temperature bath. willSodium borohydride (5.9 g, 157.0 mmol) was added portionwise to the above reaction mixture, and then iodine (13.3 g, 52.3 mmol) in tetrahydrofuran (40 ml) was slowly added dropwise to the reaction mixture. The iodine was consumed completely and there was no gas overflow, and the reaction solution was transferred to a 60 C oil bath for heating for 10 hours. The reaction was monitored by TLC until compound 3a was completely reacted. 30 ml of methanol was slowly added to the reaction solution at 0 C to quench the reaction. After the reaction mixture was poured into 200 ml of water and extracted with dichloromethane (80 ml) three times, the organic phase was combined, and the organic phase was back-washed with saturated brine. The organic phase was dried over anhydrous sodium sulfate and dried.The crude product was purified by flash silica gel column (PE/EA=12/1) The yield was 88.6%.

		A solution of 6.0 g (28.5 mmol) 3- (3, 4-dimethoxyphenyl) -propionic acid in 120 ml anhydrous THF is cooled to 0 C and treated within 15 minutes with 42.75 ml borane THF complex (1 M solution). Stirring is continued overnight at rt. The resulting clear solution is cooled with an ice/water bath and hydrolyzed by the addition of 100 ml saturated ammonium chloride solution. Extractive work-up with diethyl ether furnishes a colourless oil, which is purified by chromatography (HEXANE/ETHYL acetate) to yield a colourless oil. 1H-NMR (300 MHz, CDC13) : 6.76-6. 80 (m, 1H), 6.70-6. 74 (m, 2H), 3.86 (s, 3H), 3.85 (s, 3H), 3.67 (t, 2H), 2.62-2. 69 (m, 2H), 1.82-1. 93 (m, 2H). MS: 197 (M+1) +
	With dimethylsulfide borane complex; In tetrahydrofuran; diethyl ether; at 20℃;	Step 2. 3-(3,4-dimethoxyphenyl)propanoic acid was dissolved in THF (100 mL). Borane-dimethyl sulfide complex (2M in diethyl ether, 20 mL, 40 mmol) was added. The reaction mixture was stirred overnight at room temperature. Methanol was added slowly to quench the reaction mixture, then silica was added and the volatiles were removed under reduced pressure. The residue was purified on silica using a heptane to ethyl acetate gradient yielding the product as an oil. This was used as such in the next step.LC-MS: Anal. Calcd. For CnHie03: 196.1 1 ; found 195[M-H]
	With dimethylsulfide borane complex; In tetrahydrofuran; diethyl ether; at 20℃;	10129] Step 2. 3-(3,4-dimethoxyphenyl)propanoic acid was dissolved in THF (100 mE). l3orane-dimethyl sulfide complex (2M in diethyl ether, 20 mE, 40 mmol) was added. The reaction mixture was stirred overnight at room temperature. Methanol was added slowly to quench the reaction mixture, then silica was added and the volatiles were removed under reduced pressure. The residue was purified on silica using a heptane to ethyl acetate gradient yielding the product as an oil. This was used as such in the next step.10130] EC-MS: Anal. Calcd. For C, ,H,503: 196.11; found195[M-H]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 78 - 87
[2]Patent: WO2019/171088,2019,A1 .Location in patent: Page/Page column 6; 13; 14
[3]Synthesis,2009,p. 715 - 720
[4]Tetrahedron,2009,vol. 65,p. 10623 - 10630
[5]Patent: WO2021/21953,2021,A2 .Location in patent: Paragraph 00182
[6]European Journal of Organic Chemistry,2018,vol. 2018,p. 1041 - 1052
[7]Patent: CN108101902,2018,A .Location in patent: Paragraph 0007; 0061; 0067
[8]Journal of Heterocyclic Chemistry,1981,vol. 18,p. 821 - 824
[9]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060
[10]Journal of the Indian Chemical Society,2005,vol. 82,p. 938 - 939
[11]European Journal of Organic Chemistry,2021
[12]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29
[13]Journal of Organic Chemistry,2001,vol. 66,p. 59 - 65
[14]Patent: WO2004/56365,2004,A2 .Location in patent: Page/Page column 154-155
[15]Patent: WO2012/136834,2012,A1 .Location in patent: Page/Page column 26
[16]Angewandte Chemie - International Edition,2013,vol. 52,p. 410 - 414
Angew. Chem.,2013,vol. 125,p. 428 - 432
[17]Patent: US2014/45849,2014,A1 .Location in patent: Paragraph 0129; 0130
[18]Bioorganic Chemistry,2018,vol. 80,p. 408 - 421
[19]Angewandte Chemie - International Edition,2021,vol. 60,p. 26710 - 26717
Angew. Chem.,2021,vol. 133,p. 26914 - 26921

5
[ 3929-47-3 ]
[ 79623-14-6 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 4052 - 4060
[2]Tetrahedron Letters,2004,vol. 45,p. 2293 - 2295
[3]Journal of the American Chemical Society,1981,vol. 103,p. 6856 - 6863
[4]Journal of Organic Chemistry,2019,vol. 84,p. 346 - 364

6
3'-Hydroxymethyleugenol [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Phytochemistry,1981,vol. 20,p. 1543 - 1546
[2]Journal of the Indian Chemical Society,2013,vol. 90,p. 1853 - 1860

7
[ 27798-73-8 ]
[ 3929-47-3 ]

Yield	Reaction Conditions	Operation in experiment
74.8%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 20℃; for 2.5h;	General procedure: A mixture of Lithium aluminum hydride (9.5 g, 0.250 mol), dry THF(250 mL), to it add substituted dihydrocinnamic acid methyl ester (3ae,0.127 mol), in THF (50 mL) was added slowly drop wise during30 min. After completion of addition the reaction mixture was stirredfor 2 h at rt, after completion of reaction as monitored by TLC hexane/ethyl acetate (8:2), the reaction mixture was poured in water (200 mL),acidified with 5 N HCl, extract with chloroform (2×400 mL), extractwas wash with water, brine solution, dried over Na2SO4 and concentrated.The crude residue was subjected to column chromatographyon silica gel, column was eluted with hexane/ethyl acetate mixtures,pure compound was eluted in ethyl acetate in hexane, 10%/90% (v/v)which was monitored by TLC, pure fractions were combined and concentratedto obtained 3-(substituted phenyl)- propan-1-ol as oily compoundswith yields of 73-77%.

Reference： [1]Bioorganic Chemistry,2018,vol. 80,p. 408 - 421
[2]Phytochemistry,1992,vol. 31,p. 1179 - 1184
[3]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 241 - 245

8
[ 61871-67-8 ]
[ 3929-47-3 ]

Reference： [1]Farmaco, Edizione Scientifica,1985,vol. 40,p. 730 - 744

9
[ 3929-47-3 ]
[ 2032-35-1 ]
[ 70821-95-3 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

10
[ 3929-47-3 ]
[ 2032-35-1 ]
[ 70821-95-3 ]
[ 79242-33-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1981,vol. 18,p. 821 - 824

11
[ 38078-09-0 ]
[ 3929-47-3 ]
1,2-Dimethoxyphenyl-4-(3-fluoropropyl)benzene [ No CAS ]
3,4-Dimethoxybenzenepropanol diethylamidosulfite [ No CAS ]
Bis<3-(3,4-dimethoxyphenyl)propyl> carbonate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 8034 - 8039

12
[ 3929-47-3 ]
[ 144-55-8 ]
1,2-Dimethoxyphenyl-4-(3-fluoropropyl)benzene [ No CAS ]
3,4-Dimethoxybenzenepropanol diethylamidosulfite [ No CAS ]
Bis<3-(3,4-dimethoxyphenyl)propyl> carbonate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 8034 - 8039

13
[ 3929-47-3 ]
[ 61871-67-8 ]

Yield	Reaction Conditions	Operation in experiment
92%	With dimethyl sulfoxide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 20℃; for 3h;	Toa stirred solution of IBX (7.1g, 25.51 mmol) in dry DMSO (5 mL) was added a solution of 2 (2.5 g, 12.75 mmol) in dry DCM (20 mL) at room temperature andstirred for 3h at room temperature.After completion of the reaction, the mixture was filtered and dilutedwith ice cold water (10 mL) and extracted into DCM (2 x 30 mL). The combinedorganic layer was washed with brine (20 mL), dried over anhydrous Na2SO4and evaporated to give crude aldehyde (2.27 g, Yield 92%), which wasused directly for next step without purification.
77.4%	With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide;	General procedure: Suitable 3-(substituted-phenyl)-propan-1-ol (4a-e, 0.02727 mol)compound was dissolved in DMSO (150 mL) and to the mixture IBX(28 g, 0.02727 mol) was added portion wise during 45 min. Aftercompletion of addition, the reaction mixture was stirred for 2 h. at roomtemperature. After completion of reaction which was monitored by TLChexane/ethyl acetate (8:2), the reaction mixture was poured into water(200 mL). The mixture was filter off; the filter bed was washed withchloroform (200 mL). The filtrate was taken in to a separating funnel,separated the organic layer and the aqueous layer was extracted withchloroform (200 mL). The combined organic layer was washed withwater, brine solution, dried over Na2SO4 and concentrated under vacuum.The crude residue was subjected to column chromatography onsilica gel, using ethyl acetate in hexane, 15%/85% (v/v) eluents asmonitored by TLC, pure fractions were combined and concentrated toobtained 3-(substituted-phenyl)-propan-1-al as oily compounds withyields of (5a-e, 73-81%).
60%	With pyridinium chlorochromate; In dichloromethane; at 0 - 20℃; for 2h;	To a solution of PCC (0.43 g, 2.0 mmol) in dry CH2Cl2 (4 mL), a solution of <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)propan-1-ol</strong> (0.30 g, 1.54 mmol) in dry CH2C12 (6 mL), was added at 0 C. The mixture was stirred at ambient temperature for 2 h. After the completion of the reaction, themixture was filtered through a pad of celite using Et20. The filtrate was concentrated in vacuo and the desired product was afforded as colorless oil and used without further purification, (0.18 g, 60%). ‘H NMR(600 MHz, CDCl3) (5: 9.76 (s, 1H, -CHO), 6.75 - 6.68 (m, 3H, Ar-fl), 3.82 (s, 3H, -OCH3), 3.80 (s, 3H,OCH3), 2.86 (t, J 7.5 Hz, 2H, -CH2CH2CHO), 2.73 - 2.70 (m, 2H, -CH2CH2CHO).’3C NMR (75 MHz, CDCI3) (5: 201.6, 148.9, 147.5, 132.9, 120.1, 111.7, 111.4, 55.9, 55.8, 45.4, 27.7. MS m/z: 411.12(2M+Na)

With Dess-Martin periodane; In dichloromethane; for 0.5h;

A solution of 2.0 g (10. 2 MMOL) OF THE aldehyde prepared in step A in 40 ml CH2C12 is oxidised in the dark by the addition of 4.32 g (10.2 mmol) Dess-Marin periodinane. The reaction is complete after 30 minutes. The suspension formed is taken up into 50 ml CH2CL2 and washed twice with sodium bicarbonate and 20 % sodium thiosulphate solution. Concentration of the organic layer affords a beige crude product which is purified by chromatography (hexane/ethyl acetate) to yield a yellow oil. IH-NMR (300 MHz, CDC13) : 9. 80 (t, 1H), 6.70-6. 81 (m, 5H), 3.86 (s, 3H), 3.85 (s, 3H), 3.87-3. 94 (m, 2H), 2.72-2. 80 (m, 2H). MS: 193 (M+1) +

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 243 - 250
[2]Synthesis,2008,p. 2083 - 2088
[3]Angewandte Chemie - International Edition,2011,vol. 50,p. 9838 - 9842
[4]Organic Letters,2017,vol. 19,p. 2 - 5
[5]Tetrahedron Letters,2013,vol. 54,p. 4617 - 4619
[6]Journal of the American Chemical Society,2003,vol. 125,p. 11253 - 11258
[7]Journal of Organic Chemistry,1997,vol. 62,p. 78 - 87
[8]Bioorganic Chemistry,2018,vol. 80,p. 408 - 421
[9]Medicinal Chemistry Research,2001,vol. 10,p. 587 - 595
[10]Drug Development Research,2021,vol. 82,p. 789 - 801
[11]Patent: WO2019/171088,2019,A1 .Location in patent: Page/Page column 6; 14
[12]Tetrahedron Letters,1994,vol. 35,p. 8755 - 8758
[13]Organic and Biomolecular Chemistry,2004,vol. 2,p. 3134 - 3138
[14]Journal of Organic Chemistry,2002,vol. 67,p. 1359 - 1367
[15]Chemistry - A European Journal,2001,vol. 7,p. 1408 - 1416
[16]Patent: WO2004/56365,2004,A2 .Location in patent: Page/Page column 154-155
[17]Advanced Synthesis and Catalysis,2009,vol. 351,p. 859 - 864
[18]Angewandte Chemie - International Edition,2009,vol. 48,p. 5121 - 5124
[19]Angewandte Chemie - International Edition,2013,vol. 52,p. 410 - 414
Angew. Chem.,2013,vol. 125,p. 428 - 432
[20]Tetrahedron Letters,2015,vol. 56,p. 1045 - 1048
[21]Journal of the American Chemical Society,2018,vol. 140,p. 3322 - 3330

14
[ 3929-47-3 ]
1,2-Dimethoxyphenyl-4-(3-fluoropropyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 8034 - 8039

15
[ 14737-89-4 ]
[ 3929-47-3 ]

Yield	Reaction Conditions	Operation in experiment
83%	With lithium aluminium tetrahydride; In tetrahydrofuran; for 5.5h;Reflux;	To a stirred suspension of LiAlH4 (2.73 g, 71.94 mmol) in anhydrous THF (50 mL) was added 2 (10.00 g, 48.03 mmol) as a solid in portions over 30 min. After addition, the resulting reaction mixture was refluxed for 5 h, cooled to room temperature, and quenched with MeOH (20 mL). The resulting suspension was filtered under vacuum, washed in turn with EtOAc (100 mL) and brine, and dried over anhydrous Na2SO4. The organic extracts were concentrated in vacuo to yield a pale yellow oil (3, 7.80 g, 83%). 1H NMR (400 MHz,CDCl3) d 6.79 (d, J 8.1 Hz, 1H, H-5), 6.74 (d, J 6.1 Hz, 2H, H-2 andH-6), 3.86 (s, J 5.7 Hz, 6H, 2 OCH3), 3.67 (t, J 6.2 Hz, 2H,CH2OH), 2.66 (t, J 7.6 Hz, 2H, Ph-CH2), 1.88 (q, J 7.3 Hz, 2H,CH2CH2OH), 1.74 (s, 1H, CH2CH2OH).

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 9146 - 9155
[2]European Journal of Medicinal Chemistry,2019
[3]Journal of the Indian Chemical Society,2005,vol. 82,p. 938 - 939
[4]Patent: US2014/45849,2014,A1
[5]Bioorganic Chemistry,2018,vol. 80,p. 408 - 421
[6]Patent: WO2012/136834,2012,A1

16
[ 42074-68-0 ]
[ 3929-47-3 ]
[ 196814-73-0 ]
(S)-2-(2-Benzoyl-phenylamino)-3-{4-[3-(3,4-dimethoxy-phenyl)-propoxy]-phenyl}-propionic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 5037 - 5054

17
[ 3929-47-3 ]
[ 118156-83-5 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 241 - 245
[2]Journal of Organic Chemistry,2001,vol. 66,p. 59 - 65
[3]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 584 - 589

18
[ 3929-47-3 ]
(2Z,4Z)-3-(3-Hydroxy-propyl)-hexa-2,4-dienedioic acid dimethyl ester [ No CAS ]

Reference： [1]Heterocycles,2005,vol. 65,p. 1481 - 1490

19
[ 3929-47-3 ]
[ 2107-70-2 ]
3-(3,4-dimethoxyphenyl)propyl 3-(3,4-dimethoxyphenyl)propanoate [ No CAS ]

Reference： [1]Journal of the Indian Chemical Society,2013,vol. 90,p. 1853 - 1860
[2]Journal of the Indian Chemical Society,2005,vol. 82,p. 938 - 939

20
[ 112-80-1 ]
[ 3929-47-3 ]
octadec-9-enoic acid 3-(3,4-dimethoxy-phenyl)-propyl ester [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2006,vol. 54,p. 2969 - 2976

21
[ 3929-47-3 ]
[ 79623-14-6 ]
7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one [ No CAS ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 4052 - 4060

22
[ 3929-47-3 ]
[ 57-10-3 ]
3-(3,4-dimethoxyphenyl)propyl palmitate [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2006,vol. 54,p. 2969 - 2976

23
[ 112-39-0 ]
[ 3929-47-3 ]
3-(3,4-dimethoxyphenyl)propyl palmitate [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2006,vol. 54,p. 7062 - 7068

24
C₁₁H₂₁NO₄S [ No CAS ]
[ 3929-47-3 ]
(1R,2R)/(1S,2S)-1-[3-(3,4-dimethoxyphenyl)propoxy]-2-(4-morpholinyl)cyclohexane [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 2818 - 2841

25
[ 124-38-9 ]
[ 3929-47-3 ]
5-(3-hydroxypropyl)-2,3-dimethoxybenzoic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 6819 - 6829

26
[ 120-14-9 ]
[ 3929-47-3 ]

Reference： [1]Journal of the Indian Chemical Society,2005,vol. 82,p. 938 - 939
[2]Farmaco, Edizione Scientifica,1985,vol. 40,p. 730 - 744
[3]Journal of the Indian Chemical Society,2013,vol. 90,p. 1853 - 1860
[4]European Journal of Organic Chemistry,2018,vol. 2018,p. 1041 - 1052
[5]European Journal of Medicinal Chemistry,2019

27
[ 3929-47-3 ]
[ 108102-80-3 ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 11253 - 11258

28
[ 3929-47-3 ]
[ 108102-77-8 ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 11253 - 11258

29
[ 3929-47-3 ]
[ 421598-70-1 ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 11253 - 11258

30
[ 3929-47-3 ]
4-(3,4-dimethoxy-benzyl)-5-hydroxy-5<i>H</i>-furan-2-one [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 11253 - 11258

31
[ 3929-47-3 ]
1,2-dimethoxy-4-(penta-3,4-dien-1-yl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 1359 - 1367

32
[ 3929-47-3 ]
[ 1026623-44-8 ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 1359 - 1367

33
[ 3929-47-3 ]
methyl (Z)-2-bromo-5-(3,4-dimethoxyphenyl)pent-2-enoate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 1359 - 1367

34
[ 3929-47-3 ]
[ 405933-07-5 ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 1359 - 1367

35
[ 3929-47-3 ]
[ 130010-32-1 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 243 - 250

36
[ 3929-47-3 ]
[ 321670-15-9 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 243 - 250

37
[ 3929-47-3 ]
[ 321669-92-5 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 243 - 250

38
[ 3929-47-3 ]
[ 327621-48-7 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 59 - 65

39
[ 3929-47-3 ]
[ 181222-23-1 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 241 - 245
[2]European Journal of Organic Chemistry,2021
[3]Angewandte Chemie - International Edition,2021,vol. 60,p. 26710 - 26717
Angew. Chem.,2021,vol. 133,p. 26914 - 26921

40
[ 100157-46-8 ]
[ 3929-47-3 ]

Reference： [1]Farmaco, Edizione Scientifica,1985,vol. 40,p. 730 - 744

41
methyl 3,4-dimethoxycinnamate [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Phytochemistry,1981,vol. 20,p. 1543 - 1546

42
[ 3929-47-3 ]
[ 70822-23-0 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

43
[ 3929-47-3 ]
[ 70822-09-2 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

44
[ 3929-47-3 ]
[ 70822-11-6 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

45
[ 3929-47-3 ]
[ 74539-12-1 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

46
[ 3929-47-3 ]
[ 102638-06-2 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

47
[ 3929-47-3 ]
[ 70821-80-6 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

48
[ 3929-47-3 ]
[ 70821-78-2 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

49
[ 3929-47-3 ]
[ 70821-76-0 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1058 - 1060

50
[ 943-89-5 ]
(<i>S</i>)-2-trimethylammonio-3-<4-hydroxy-phenyl>-propionic acid-betaine [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Phytochemistry,1992,vol. 31,p. 1179 - 1184

51
[ 3901-07-3 ]
[ 3929-47-3 ]

Reference： [1]Phytochemistry,1992,vol. 31,p. 1179 - 1184

52
[ 2316-26-9 ]
[ 3929-47-3 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29
[2]Tetrahedron Letters,2015,vol. 56,p. 1045 - 1048
[3]European Journal of Organic Chemistry,2018,vol. 2018,p. 1041 - 1052

53
[ 3929-47-3 ]
[ 13575-74-1 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29

54
[ 3929-47-3 ]
[ 19626-38-1 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29

55
[ 3929-47-3 ]
[ 13575-75-2 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29

56
[ 3929-47-3 ]
[ 19626-39-2 ]

Reference： [1]Journal of Medicinal Chemistry,1966,vol. 9,p. 27 - 29

57
[ 1634-04-4 ]
[ 3929-47-3 ]
[ 3945-85-5 ]

Yield	Reaction Conditions	Operation in experiment
	With bromine; triphenylphosphine; In diethyl ether; cyclohexane; water; acetonitrile;	A) 6.7 g of triphenylphosphine were dissolved in 200 ml of acetonitrile. After the solution had been cooled to 0 C., 1.3 ml of bromine were added dropwise. The cooling bath was then removed and a solution of 5 g of <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong> in 80 ml of acetonitrile was added dropwise. The reaction mixture was subsequently heated under reflux, using a water trap to remove 10 ml of distillate on several occasions over the course of 6 hours, replacing the amount removed with fresh acetonitrile. For working up, the solvent was evaporated off under reduced pressure, and the remaining residue was taken up in diethyl ether and filtered. The filtrate was concentrated under reduced pressure and purified by flash column chromatography using cyclohexane/methyl tert-butyl ether (7:2). 5.5 g of 3-(3,4-dimethoxyphenyl)-1-bromopropane were obtained as a colorless oil.

Reference： [1]Patent: US5677297,1997,A

58
[ 75-09-2 ]
[ 27798-73-8 ]
[ 3929-47-3 ]

Yield	Reaction Conditions	Operation in experiment
	With lithium aluminium tetrahydride; In tetrahydrofuran;	EXAMPLE 2 Preparation of 3-(3,4-Dimethoxyphenyl)-1-propanol To a 5 1, 3-neck flask, fitted with a condenser, mechanical stirrer and septum inlet, was added by needle/N2 pressure a solution of lithium aluminum hydride in THF (1M, 912 cc). Methyl 3-(3,4-dimethoxyphenyl)propionate (213 g, 0.95 mole) was dissolved in dry THF (total volume 900 cc and the resulting solution was added dropwise over a period of 5 hours using needle/N2 pressure to the stirred LAH solution at a rate to maintain gentle reflux under a continuous N2 atmosphere. The reaction mixture was stirred overnight at room temperature, cooled in an ice/acetone bath and treated dropwise over about 2 hours with saturated NH4 Cl solution (104 cc), the nitrogen pressure being continued to this point. After stirring for several hours, the mixture was filtered and the salts were washed with dry THF. The filtrate was evaporated in vacuo to a light yellow oil; yield: 160 g. The salts from the above filtration were air-dried for several days, combined with CH2 Cl2 (700 cc), stirred overnight and filtered. The filtrate was evaporated in vacuo to give an additional 26 g of product. The overall yield of a light yellow oil was: 186 g (100%).

Reference： [1]Patent: US4954659,1990,A

59
[ 3929-47-3 ]
[ 121-44-8 ]
3-(3,4-dimethoxyphenyl)-propanol methanesulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
282 g (100%)	With hydrogenchloride; In dichloromethane;	EXAMPLE 3 Preparation of 3-(3,4-Dimethoxyphenyl)-1-propyl methanesulfonate Under N2, methanesulfonyl chloride (129.7 g, 1.132 m, 87.6 cc) was added dropwise over 1-1.5 hours at -10 to 0 C. to a mechanically stirred solution of <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong> (202 g, 1.03 mole) and Et3 N (158.3 g, 1.56 mole, 218 cc) in CH2 Cl2 (1.5 1) contained in a 5 1, 3-neck flask. The reaction mixture was stirred at 0 C. for 1 hour and then washed successively with icewater (1700 cc), cold 3N HCl (1700 cc), saturated NaHCO3 solution (1700 cc) and brine (1700 cc). The organic solution was dried (Na2 SO4) and concentrated in vacuo to an orange syrup; yield: 282 g (100%).

Reference： [1]Patent: US4954659,1990,A

60
[ 3929-47-3 ]
[ 14737-89-4 ]
[ 132465-07-7 ]

Yield	Reaction Conditions	Operation in experiment
	In cyanoacetic acid;	4-Hydroxyphenethyl 2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoate (Compound 20) After the reduction of 3,4-dimethoxycinnamic acid to 3-(3,4-dimethoxyphenyl)propanol in the usual manner followed by condensation with cyanoacetic acid according to the procedure in Example 3, the product was demethylated with boron trichloride and condensed with 3,4-dihydroxybenzaldehyde to give the following compound.

Reference： [1]Patent: US5063243,1991,A

61
[ 3929-47-3 ]
[ 3945-85-5 ]
1-(3',4'-Dihydroxyphenyl)-4-(3'',4''-dimethoxyphenyl)-1-butene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With phosphorus tribromide; triphenylphosphine;	EXAMPLE 21 Preparation of 1-(3,4-dihydroxyphenyl)-4-(3,4-dimethoxyphenyl)-1-butene In accordance with Examples 17-(1) and 17-(2), 1-(3,4-dihydroxyphenyl)-4-(3,4-dimethoxyphenyl)-1-butene was prepared. However, 3-(3,4-dimethoxyphenyl)propyl-1-triphenyl-phosphonium bromide synthesised from triphenylphosphine and 1-bromo-3-(3,4-dimethoxyphenyl)propane [this compound was synthesised from <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong> and phosphorus tribromide] was used as the Wittig reagent. IR: γmax 3340, 1605, 965 cm-1. NMR: δ(CDCl3), 2.0-2.5 (m, 2H), 2.60 (t, J=6 Hz, 2H), 3.9 (s, 6H), 5.55 (d, t, J=11, 7 Hz, 1H), 5.8 (s, 2H), 6.25 (d, J=11 Hz, 1H), 6.6-6.9 (m, 6H).

Reference： [1]Patent: US4733002,1988,A

62
[ 3929-47-3 ]
[ 144-55-8 ]
[ 124-63-0 ]
3-(3,4-dimethoxyphenyl)-propanol methanesulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; triethylamine; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; chloroform; water;	(a) 3-(3,4-Dimethoxyphenyl)-propyl-1-methanesulphonate: To a mixture of 10 g. (50 mmol) <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong>, 50 ml. chloroform and 14 ml. (100 mmol) triethylamine there is added dropwise, with stirring, exclusion of moisture and cooling to -15, a solution of 5.5 ml. (70 mmol) methanesulphonic acid chloride in 20 ml. chloroform. Subsequently, one stirs for 2 hrs. in a cold bath, allows it to come to room temperature and pours the batch on to a mixture of 100 ml. ice water and 3 ml. 37% hydrochloric acid. One stirs up well, separates off the chloroform phase, washes it with 20 ml. water and 20 ml. aqueous sodium hydrogen carbonate solution, dries over anhydrous sodium sulphate and evaporates under reduced pressure. One obtains the 3-(3,4-dimethoxyphenyl)-propyl-1-methane sulphonate in quantitative yield (14 g.) in the form of a yellowish oil.

Reference： [1]Patent: US4363805,1982,A

63
[ 75-09-2 ]
[ 3929-47-3 ]
[ 2032-35-1 ]
[ 70821-95-3 ]

Yield	Reaction Conditions	Operation in experiment
	With trifluoroacetic acid; In nitromethane; ethyl acetate;	PREPARATION 1 7,8-Dimethoxy-1-bromomethyl-1,3,4,5-tetrahydro-2-benzoxepin A solution of 5.00 g. of <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong>, 9.76 ml of bromoacetaldehyde diethyl acetal, 2.0 ml of trifluoroacetic acid, and 125 ml of nitromethane is heated at 65 under a nitrogen atmosphere for 2 hours. After cooling, the reaction mixture is extracted with methylene chloride and aqueous sodium bicarbonate. The organic layer is taken to dryness in vacuo and the residue is chromatographed first with 100% CH2 Cl2 and a second time with 10% ethyl acetate:SSB to give 300 g of 7,8-dimethoxy-1-bromomethyl-1,3,4,5-tetrahydro-2-benzoxepin, m.p., 44-45. Following the procedure of Preparation 1, but substituting the appropriate 3-(substituted-phenyl)-1-propanol, for <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong> the 1-bromomethyl-2-benzoxepins of Table 1 can be prepared.

Reference： [1]Patent: US4153612,1979,A

64
[ 3929-47-3 ]
3-(3,4-dimethoxyphenyl)-1-propanethiol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; hydrogen bromide; thiourea;	PREPARATION 1' Preparation of 3-(3,4-dimethoxyphenyl)- 1-propanethiol A mixture of 5.00 q (25.5 mmoles) of 3-(3,4-dimethoxyphenyl)propanol, 1.94 g (25.5 mmoles) of thiourea, and 8.5 ml of 48% hydrobromic acid is heated on steam bath for 1 hour, allowed to stand overnight at room temperature, and then heated again on a steam bath for 2 hours. After cooling, the reaction mixture is treated with 76.5 ml of 1 M sodium hydroxide and heated on the steam bath for 11/2 hours. After cooling, the reaction mixture is made acidic with 1 N hydrochloric acid and extracted with methylene chloride (followed by a brine wash). Silica gel chromatography using 10% ethyl acetate/Skellysolve B as eluent gives 0.67 g of 3-(3,4-dimethoxyphenyl)-1-propanethiol. Following the procedure of Preparation 1', but substituting the appropriate 3-substituted-phenyl-1-propanol for <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)-1-propanol</strong>, the phenyl-1-propanethiols of Table 1' can be prepared.

Reference： [1]Patent: US4153612,1979,A
[2]Chemistry - A European Journal,2019,vol. 25,p. 1936 - 1940

65
[ 314741-68-9 ]
[ 3929-47-3 ]
[ 314741-29-2 ]

Yield	Reaction Conditions	Operation in experiment
		A solution of 3-(3,4-dimethoxyphenyl)-propanol (1.0g) in dichloromethane was treated with triethylamine (0.6g) and methanesulphonyl chloride (0.6g).. After 3h the solution was washed with water, dried, and evaporated.. The residue was dissolved in DMF (10 ml) and treated with [2-(R,S)-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazine (1.1g) (prepared from Example 1(f) by an analogous procedure to Example 33(b)) and potassium carbonate (0.66g).. The mixture was heated at 80C for 3h, then evaporated to dryness.. The residue was partitioned between ethyl acetate and saturated aqueous sodium bicarbonate solution.. The organic extract was dried and evaporated and the residue chromatographed on silica eluding with a methanol-dichloromethane gradient, affording the title compound as an oil (0.46g).. This was converted to a dioxalate salt in the usual way. MS (+ve ion electrospray) m/z 466(MH+).

Reference： [1]Patent: EP1187828,2004,B1 .Location in patent: Page 21-22

66
ethyl (E)-3,4-dimethoxycinnamate [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Synthesis,2009,p. 660 - 664

67
[ 3929-47-3 ]
[ 124-63-0 ]
3-(3,4-dimethoxyphenyl)-propanol methanesulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99%	With triethylamine; In dichloromethane; at 0 - 25℃; for 3h;	Triethylamine (387mg, 3.82 mmol) and methanesulfonyl chloride (350 mg, 3.06 mmol) were added dropwiseto a well-stirred solution of 3-(3,4-Dimethoxyphenyl)-1-propanol (500mg, 2.55 mmol) in CH2Cl2 (10 mL) at 0 C. The mixture was stirred at 25 C for 3 h. After stirring, the reactionwas quenched with water (10 mL) and extracted from the aqueous phase with MC (10 mLx 3). The organic layer was dried over sodium sulfate and evaporated under reduced pressure.The residue was purified by flash column chromatography (80% EtOAc/hexane) toyield 690mg (2.52 mmol, 99%) of 4-(3-methanesulfonyloxypropyl)-1,2-dimethoxybenzeneas a colorless oil: 1H NMR (400 MHz, CDCl3) δ 1.99-2.06 (m, 2H), 2.67 (t, J = 7.6 Hz, 2H),2.97 (s, 3H), 3.83 (s, 3H), 3.85 (s, 3H), 4.20 (t, J = 6.3 Hz, 2H), 6.70-6.71 (m, 2H), 6.78 (d, J =8.5 Hz, 1H); 13C NMR(100 MHz, CDCl3) δ 30.84, 31.08, 37.32, 55.88, 55.94, 69.22, 111.42,111.84, 120.33, 132.88, 147.52, 149.00; MS (EI) 274 (M+), 151 (100); HRMS (EI) calcd forC12H18O5S (M+) 274.0875, found 274.0878.
	With triethylamine; In acetonitrile; at 20℃;	Step 3. 3-(3,4-dimethoxyphenyl)propan-1 -ol (3.8 g, 19.5 mmol) and triethylamine (3.8 mL, 27.3 mmol) were dissolved in acetonitrile (15 mL) and then methanesulfonyl chloride (1.5 mL, 19.5 mmol) was added. The reaction mixture was shaken overnight at room temperature. The volatiles were removed under reduced pressure and the residue was purified via silica gel chromatography using a heptane to ethyl acetate gradient yielding the product as a clear oil.1H NMR (400 MHz, DMSO-d6) δ ppm 1 .91 - 2.01 (m, 2 H), 2.58 - 2.64 (m, 2 H), 3.17 (s, 3 H), 3.72 (s, 3 H), 3.75 (s, 3 H), 4.19 (t, J=6.4 Hz, 2 H), 6.71 - 6.76 (m, 1 H 6.81 - 6.89 (m, 2 H)
	With triethylamine; In acetonitrile; at 20℃;	10131] Step 3. <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)propan-1-ol</strong> (3.8 g,19.5 mmol) and triethylamine (3.8 mE, 27.3 mmol) were dissolved in acetonitrile (15 mE) and then methanesulfonyl chloride (1.5 mE, 19.5 mmol) was added. The reaction mixture was shaken overnight at room temperature. The volatiles were removed under reduced pressure and the residue was purified via silica gel chromatography using a heptane to ethyl acetate gradient yielding the product as a clear oil.10132] ‘H NMR (400 MHz, DMSO-d5) ö ppm 1.91-2.01 (m, 2H), 2.58-2.64 (m, 2H), 3.17 (s, 3H), 3.72 (s, 3H), 3.75 (s, 3H), 4.19 (t, J=6.4 Hz, 2H), 6.71-6.76 (m, 1H), 6.81-6.89 (m, 2H)

Reference： [1]Tetrahedron,2009,vol. 65,p. 5377 - 5384
[2]Molecules,2021,vol. 26
[3]Patent: WO2012/136834,2012,A1 .Location in patent: Page/Page column 26
[4]Patent: US2014/45849,2014,A1 .Location in patent: Paragraph 0131; 0132

68
[ 1204428-32-9 ]
[ 1204428-36-3 ]
[ 3929-47-3 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 10623 - 10630

69
[ 3929-47-3 ]
[ 124217-77-2 ]
[ 1204428-33-0 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 10623 - 10630

70
[ 3929-47-3 ]
[ 7051-34-5 ]
[ 1204428-32-9 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 10623 - 10630

71
3-(3,4-dimethoxyphenyl)propyltrichlorosilane [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Synlett,2011,p. 2811 - 2814

72
[ 3929-47-3 ]
[ 304-88-1 ]
[ 1392108-14-3 ]

Reference： [1]Synthesis,2012,vol. 44,p. 1745 - 1754

73
[ 3929-47-3 ]
[ 204332-47-8 ]
3-(3,4-dimethoxyphenyl)propyl 1-(benzylsulfonyl)piperidine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20℃; for 12h;	A solution of alcohol <strong>[3929-47-3]3-(3,4-dimethoxyphenyl)propan-1-ol</strong> (37.8mg, 0.193 mmol), acid 1-(Benzylsulfonyl)piperidine-2-carboxylic acid (50mg, 0.176 mmol) and DMAP (6.4 mg, 0.05 mmol) in DCM at room temperature was treated with DCC (54.47 mg, 0.264 mmol). After stirring for 12 h the mixture was diluted with EtOAc and filtered through a plug of celite. The filtrate was concentrated and the crude material flash chromatographed (hexane: EtOAc 7:3) to afford compound 3-(3,4-dimethoxyphenyl)propyl 1-(benzylsulfonyl)piperidine-2-carboxylate (65 mg, 0.14 mmol, 80%). TLC (hexane: EtOAc: 7:3): Rf = 0.40. HPLC (gradient A) retention time= 26.3-26.6 min 1HNMR (300 MHz, CDC3) δ= 1.35-1.71 (m, 5H), 1.92-2.01 (m, 2H), 2.14 (d, 1H, J= 12 Hz), 2.65 (t, 2H, J= 8.1 Hz), 3.16 (dt, 1H, J= 3, 12.6 Hz), 3.44 (d, 1H, J= 17.7 Hz), 3.85 (s, 3H), 3.86 (s, 3H), 4.13-4.22 (m, 2H), 4.26 (s, 2H), 4.54 (d, 1H, J= 4.5 Hz), 6.69-6.73 (m, 2H), 6.78-6.80 (m, 1H), 7.34-7.37 (m, 3H), 7.43-7.47 (m, 2H). 13C NMR (75 MHz, CDCl3) δ= 20.36, 24.99, 27.79, 30.41, 31.63, 43.44, 55.84, 55.93, 56.04, 58.80, 64.63, 111.34, 111.78, 120.22, 128.46, 128.51, 129.31, 130.94, 133.48, 147.38, 148.94, 171.46. MS (ESI) m/z: found Rt 14.98 min. (Method LCMS), 484.38 [M + Na]+, calculated 484.18 [M + Na]+.
80%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20℃; for 12h;	Synthesis of 3-(3,4-dimethoxyphenyl)propyl 1 -(benzylsulfonyl)piperidine-2- carboxylate (Ref. 3) A solution of alcohol 3-(3,4-dimethoxyphenyl)propan-1 -ol (37.8mg, 0.193 mmol), acid 1 -(Benzylsulfonyl)piperidine-2-carboxylic acid (50mg, 0.176 mmol) and DMAP (6.4 mg, 0.05 mmol) in DCM at room temperature was treated with DCC (54.47 mg, 0.264 mmol). After stirring for 12 h the mixture was diluted with EtOAc and filtered through a plug of celite. The filtrate was concentrated and the crude material flash chromatographed (hexane: EtOAc 7:3) to afford compound 3-(3,4- dimethoxyphenyl)propyl 1 -(benzylsulfonyl)piperidine-2-carboxylate (65 mg, 0.14 mmol, 80%). TLC (hexane:EtOAc: 7:3): Rf = 0.40. HPLC (gradient A) retention time= 26.3-26.6 min 1HNMR (300 MHz, CDCI3) δ= 1.35-1.71 (m, 5H), 1.92-2.01 (m, 2H), 2.14 (d, 1 H, J= 12 Hz), 2.65 (t, 2H, J= 8.1 Hz), 3.16 (dt, 1 H, J= 3, 12.6 Hz), 3.44 (d, 1 H, J= 17.7 Hz), 3.85 (s, 3H), 3.86 (s, 3H), 4.13-4.22 (m, 2H), 4.26 (s, 2H), 4.54 (d, 1 H, J= 4.5 Hz), 6.69-6.73 (m, 2H), 6.78-6.80 (m, 1 H), 7.34-7.37 (m, 3H), 7.43-7.47 (m, 2H). 13C NMR (75 MHz, CDCI3) δ= 20.36, 24.99, 27.79, 30.41 , 31.63, 43.44, 55.84, 55.93, 56.04, 58.80, 64.63, 1 1 1 .34, 1 1 1.78, 120.22, 128.46, 128.51 , 129.31 , 130.94, 133.48, 147.38, 148.94, 171.46. MS (ESI) m/z: found Rt 14.98 min. (Method LCMS), 484.38 [M + Na] +, calculated 484.18 [M + Na]+.

Reference： [1]Patent: EP2610245,2013,A1 .Location in patent: Paragraph 0259; 0260; 0261; 0262; 0263; 0264; 0265
[2]Patent: WO2013/97947,2013,A1 .Location in patent: Page/Page column 64-65

74
C₂₀H₂₄O₆ [ No CAS ]
[ 3929-47-3 ]
[ 5888-52-8 ]
[ 100699-21-6 ]
[ 90-05-1 ]

Reference： [1]ACS Catalysis,2015,vol. 5,p. 7004 - 7007
[2]ACS Catalysis,2015,vol. 5,p. 7004 - 7007
[3]ACS Catalysis,2015,vol. 5,p. 7004 - 7007
[4]ACS Catalysis,2015,vol. 5,p. 7004 - 7007
[5]ACS Catalysis,2015,vol. 5,p. 7004 - 7007

75
[ 3929-47-3 ]
[ 58045-88-8 ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 3532 - 3535

76
[ 3095-95-2 ]
[ 3929-47-3 ]
3-(3,4-dimethoxyphenyl)propyl 2-(diethoxyphosphoryl)acetate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 8971 - 8988

77
[ 3929-47-3 ]
[ 911438-61-4 ]
(2S,3S,4R,5S,6R)-2-(acetoxymethyl)-6-(((E)-4-(2-(3-(3,4-dimethoxyphenyl)propoxy)-2-oxoethyl)-3-ethylidene-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%		General procedure: To a solution of oleoside 11-methylester tetraacetate 3 or oleoside tetraacetate 5 (1 equiv.) in dichloromethane were added at 0C 1.2 equiv of trichlorobenzoyl chloride and 1.4 equiv triethylamine. After 2h stirring at room temperature, the mixture was cooled to 0C and a solution of alcohol/thiol/amine (1.5 equiv.) in dichloromethane and DMAP (1.4 equiv.) were added. After stirring for 2hat room temperature, the mixture was quenched with a saturated aqueous solution of NH4Cl and extracted with dichloromethane and ethyl acetate. The combined organic layers were dried over Na2SO4 and concentrated under reduced pressure. Purification by flash chromatography (cyclohexane/ethylacetate 1:1) led to the acetylated derivatives.

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 137,p. 11 - 29

78
[ 3929-47-3 ]
(6,7-dimethoxy-1,1-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)(ethyl)sulfane [ No CAS ]

Reference： [1]Organic Letters,2017,vol. 19,p. 2 - 5

79
[ 3929-47-3 ]
(6,7-dimethoxy-1,1-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)(methyl)sulfane [ No CAS ]

Reference： [1]Organic Letters,2017,vol. 19,p. 2 - 5

80
[ 3929-47-3 ]
(6,7-dimethoxy-1,1-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)(3,3,3-trifluoropropyl)sulfane [ No CAS ]

Reference： [1]Organic Letters,2017,vol. 19,p. 2 - 5

81
[ 3929-47-3 ]
[ 98-59-9 ]
[ 99203-66-4 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; at 20℃;	The amido linkages of compounds illustrated in the foregoing examples can be replaced with ether linker substructures. For instance, a halogenated benzodioxole or dimethoxybenzene was utilized in ether synthesis with boc-D-prolinol by reaction under basic conditions with sodium hydride in DMF. In certain cases, only the alcohol version of dimethoxybenzene was available, so the alcohol group on the reactant was first replaced with tosyl group with tosyl chloride and pyridine prior to introducing it into ether synthesis. (See, Figure 3.) The final ether products were extracted with water and ethyl acetate, and then purified with flash chromatography with hexane and ethyl acetate solvents. The final ether products were N-deprotected and can be reacted with the same 4- chloro-2-(methylsulfonyl)pyrimidine and imidazole starting materials in the same manner as described above, to provide compounds 12-14 (Figure 4).

Reference： [1]European Journal of Organic Chemistry,2021
[2]Patent: WO2017/214286,2017,A1 .Location in patent: Paragraph 00129

82
C₁₇H₃₀O₃Si [ No CAS ]
[ 3929-47-3 ]

Reference： [1]Organic and Biomolecular Chemistry,2018,vol. 16,p. 6057 - 6062

83
[ 3929-47-3 ]
[ 195202-09-6 ]
3-(3,4-dimethoxyphenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 5191 - 5216

84
[ 3929-47-3 ]
ortho-iodophenyl chlorothionoformate [ No CAS ]
C₁₈H₁₉IO₄S [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2019,vol. 58,p. 18830 - 18834
Angew. Chem.,2019,vol. 131,p. 19006 - 19010,5

85
[ 10535-17-8 ]
[ 3929-47-3 ]
[ 90-05-1 ]

Reference： [1]RSC Advances,2020,vol. 10,p. 43599 - 43606

86
[ 10535-17-8 ]
[ 3929-47-3 ]
[ 90-05-1 ]
[ 1131-62-0 ]

Reference： [1]RSC Advances,2020,vol. 10,p. 43599 - 43606

87
[ 10535-17-8 ]
[ 3929-47-3 ]
[ 5888-52-8 ]
[ 90-05-1 ]
[ 1131-62-0 ]

Reference： [1]RSC Advances,2020,vol. 10,p. 43599 - 43606

88
[ 3929-47-3 ]
bicyclo[1.1.0]butyl pinacol boronic ester [ No CAS ]
2-(1-(3-(3,4-dimethoxyphenyl)propoxy)cyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2021,vol. 60,p. 212 - 216
Angew. Chem.,2021,vol. 133,p. 214 - 218,5

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[ CAS No. 3929-47-3 ] {[proInfo.proName]}

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[ 3929-47-3 ] Synthesis Path-Upstream 1~1

[ 3929-47-3 ] Synthesis Path-Downstream 1~88

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