[ CAS No. 32703-79-0 ] {[proInfo.proName]}

Name: 32703-79-0|5-(tert-Butyl)isobenzofuran-1,3-dione|95%
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SKU: A364535
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2D 3D

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Quality Control of [ 32703-79-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 32703-79-0 ]

Product Details of [ 32703-79-0 ]

CAS No. :	32703-79-0	MDL No. :	MFCD00060127
Formula :	C₁₂H₁₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YLJYVKLZVHWUCT-UHFFFAOYSA-N
M.W :	204.22	Pubchem ID :	122930
Synonyms :

Calculated chemistry of [ 32703-79-0 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.46
TPSA :	43.37 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) :	-5.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.94
Log Po/w (XLOGP3) :	3.27
Log Po/w (WLOGP) :	2.29
Log Po/w (MLOGP) :	2.85
Log Po/w (SILICOS-IT) :	3.0
Consensus Log Po/w :	2.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.4
Solubility :	0.082 mg/ml ; 0.000402 mol/l
Class :	Soluble
Log S (Ali) :	-3.86
Solubility :	0.0285 mg/ml ; 0.00014 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.68
Solubility :	0.0425 mg/ml ; 0.000208 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.05

Safety of [ 32703-79-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 32703-79-0 ]

* 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 [ 32703-79-0 ]
Downstream synthetic route of [ 32703-79-0 ]

[ 32703-79-0 ] Synthesis Path-Upstream 1~8

1
[ 14236-13-6 ]
[ 32703-79-0 ]

Reference： [1] Chemische Berichte, 1982, vol. 115, # 8, p. 2836 - 2853
[2] Russian Journal of Organic Chemistry, 1994, vol. 30, # 5.2, p. 818 - 821[3] Zhurnal Organicheskoi Khimii, 1994, vol. 30, # 5, p. 770 - 773
[4] Journal of the American Chemical Society, 1954, vol. 76, p. 1108
[5] Journal of the Chemical Society, 1943, p. 144

2
[ 3905-64-4 ]
[ 32703-79-0 ]

Reference： [1] Journal of the American Chemical Society, 1954, vol. 76, p. 1108

3
[ 31592-22-0 ]
[ 32703-79-0 ]

Reference： [1] Journal of the American Chemical Society, 1954, vol. 76, p. 1108

4
[ 7397-06-0 ]
[ 32703-79-0 ]

Reference： [1] Russian Journal of Organic Chemistry, 1994, vol. 30, # 5.2, p. 818 - 821[2] Zhurnal Organicheskoi Khimii, 1994, vol. 30, # 5, p. 770 - 773
[3] Chemische Berichte, 1982, vol. 115, # 8, p. 2836 - 2853

5
[ 2876-35-9 ]
[ 108-31-6 ]
[ 85-44-9 ]
[ 32703-79-0 ]

Reference： [1] J. Appl. Chem. USSR (Engl. Transl.), 1980, vol. 53, # 2, p. 353 - 355[2] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1980, vol. 53, # 2, p. 418 - 420

6
[ 7397-06-0 ]
[ 766-39-2 ]
[ 32703-79-0 ]
[ 74186-27-9 ]
[ 95-47-6 ]

Reference： [1] J. Appl. Chem. USSR (Engl. Transl.), 1980, vol. 53, # 2, p. 353 - 355[2] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1980, vol. 53, # 2, p. 418 - 420

7
[ 95-47-6 ]
[ 32703-79-0 ]

Reference： [1] Journal of the Chemical Society, 1952, p. 680,683

8
[ 7397-06-0 ]
[ 32703-79-0 ]

Reference： [1] Journal of the Chemical Society, 1952, p. 680,683

[ 32703-79-0 ] Synthesis Path-Downstream 1~88

1
[ 110-86-1 ]
[ 32703-79-0 ]
[ 121-47-1 ]
3-(5-tert-butyl-1,3-dioxo-isoindolin-2-yl)-benzenesulfonic acid ; compound with pyridine [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

2
[ 67-56-1 ]
[ 32703-79-0 ]
[ 57091-50-6 ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

3
[ 253185-03-4 ]
[ 32703-79-0 ]
[ 106679-40-7 ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

4
[ 32703-79-0 ]
[ 119-90-4 ]
4,4'-bis-(5-tert-butyl-1,3-dioxo-isoindolin-2-yl)-3,3'-dimethoxy-biphenyl [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

5
[ 32703-79-0 ]
[ 83-32-9 ]
[ 855201-87-5 ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

6
[ 32703-79-0 ]
[ 106-48-9 ]
[ 857758-57-7 ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

7
[ 32703-79-0 ]
[ 106-48-9 ]
6-tert-butyl-1-chloro-4-hydroxy-anthraquinone [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

8
[ 32703-79-0 ]
[ 62-53-3 ]
5-(tert-butyl)-2-phenylisoindoline-1,3-dione [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2019
[2]Journal of the Chemical Society,1952,p. 680,683
[3]European Journal of Medicinal Chemistry,2011,vol. 46,p. 1648 - 1655

9
[ 32703-79-0 ]
[ 123-31-9 ]
[ 857758-57-7 ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

10
[ 32703-79-0 ]
[ 108-88-3 ]
5-tert-butyl-2-p-toluoyl-benzoic acid [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

11
[ 32703-79-0 ]
[ 74-89-5 ]
4-(1,1-dimethylethyl)-N-methylphthalimide [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

12
[ 32703-79-0 ]
[ 108-46-3 ]
5-tert-butyl-3',6'-dihydroxy-spiro[phthalan-1,9'-xanthen]-3-one [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

13
[ 32703-79-0 ]
[ 50727-07-6 ]

Reference： [1]Canadian Journal of Chemistry,1985,vol. 63,p. 121 - 128
[2]Journal of the Chemical Society,1952,p. 680,683
[3]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 4159 - 4162

14
[ 7397-06-0 ]
[ 32703-79-0 ]
4-tert-butyl-2-methyl-benzoic acid-anhydride [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

15
[ 7397-06-0 ]
[ 766-39-2 ]
[ 32703-79-0 ]
[ 74186-27-9 ]
[ 95-47-6 ]
4-tert-butyl-phthalaldehyde [ No CAS ]

Reference： [1]Journal of applied chemistry of the USSR,1980,vol. 53,p. 353 - 355
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1980,vol. 53,p. 418 - 420

16
[ 2876-35-9 ]
[ 108-31-6 ]
[ 85-44-9 ]
[ 32703-79-0 ]

Reference： [1]Journal of applied chemistry of the USSR,1980,vol. 53,p. 353 - 355
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1980,vol. 53,p. 418 - 420

17
[ 32703-79-0 ]
C₃₆H₅₂N₄O₄⁽²⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1031 - 1040
[2]Pharmaceutica Acta Helvetiae,2000,vol. 74,p. 149 - 155

18
[ 32703-79-0 ]
C₄₀H₆₀N₄O₄⁽²⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1031 - 1040

19
[ 32703-79-0 ]
[ 60070-04-4 ]

Reference： [1]Helvetica Chimica Acta,2001,vol. 84,p. 2051 - 2063

20
[ 32703-79-0 ]
7-(tert-butyl)-1,2,4,5-tetrahydro-3H-benzocyclohepten-3-one [ No CAS ]

Reference： [1]Helvetica Chimica Acta,2001,vol. 84,p. 2051 - 2063

21
[ 32703-79-0 ]
[ 374592-81-1 ]

Reference： [1]Helvetica Chimica Acta,2001,vol. 84,p. 2051 - 2063

22
[ 32703-79-0 ]
8-tert-Butyl-2,4,6-trihydroxy-isoindolo[2,1-a]quinoline-5,11-dione [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1998,vol. 6,p. 735 - 742

23
[ 32703-79-0 ]
9-tert-Butyl-2,4,6-trihydroxy-isoindolo[2,1-a]quinoline-5,11-dione [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1998,vol. 6,p. 735 - 742

24
[ 95-47-6 ]
saturated hydriodic acid [ No CAS ]
[ 32703-79-0 ]

Reference： [1]Russian Journal of Organic Chemistry,1994,vol. 30,p. 818 - 821
Zhurnal Organicheskoi Khimii,1994,vol. 30,p. 770 - 773

25
[ 7397-06-0 ]
[ 32703-79-0 ]

Reference： [1]Russian Journal of Organic Chemistry,1994,vol. 30,p. 818 - 821
Zhurnal Organicheskoi Khimii,1994,vol. 30,p. 770 - 773
[2]Chemische Berichte,1982,vol. 115,p. 2836 - 2853

26
[ 32703-79-0 ]
[ 18798-85-1 ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

27
[ 95-47-6 ]
[ 32703-79-0 ]

Reference： [1]Journal of the Chemical Society,1952,p. 680,683

28
[ 91-20-3 ]
[ 32703-79-0 ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 1108

29
[ 32703-79-0 ]
7-tert-butyl-1,2-dihydro-cyclopenta[cd]pleiadene-5,10-dione [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

30
[ 32703-79-0 ]
9-tert-butyl-7,12-dioxo-7,12-dihydro-pleiadene-3,4-dicarboxylic acid-anhydride [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

31
[ 32703-79-0 ]
1,4-diamino-6-tert-butyl-anthraquinone [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372
[2]Journal of the Chemical Society,1952,p. 1368,1372

32
[ 32703-79-0 ]
4-tert-butyl-2-(7-oxo-7H-benzo[de]benz[4,5]imidazo[2,1-a]isoquinoline-3-carbonyl)-benzoic acid [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

33
[ 32703-79-0 ]
4-tert-butyl-2-(1,3-dioxo-1H,3H-benz[de]isochromene-6-carbonyl)-benzoic acid [ No CAS ]

Reference： [1]Journal of the Chemical Society,1952,p. 1368,1372

34
[ 3905-64-4 ]
[ 32703-79-0 ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 1108

35
[ 31592-22-0 ]
[ 32703-79-0 ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 1108

36
[ 253185-03-4 ]
[ 32703-79-0 ]
[ 106679-32-7 ]

Yield	Reaction Conditions	Operation in experiment
54%	aluminum (III) chloride; at 0 - 20℃;	Into a 500 ml three-necked flask, 36 g (176 mmole) of <strong>[32703-79-0]4-t-butylphthalic anhydride</strong>, 27 g (200 mmole) of t-butylbenzene and 100 ml of dichloroethane were placed under a stream of argon and cooled to 0C. To the obtained mixture, 56 g (420 mmole) of aluminum chloride was slowly added. After the addition was completed, the resultant mixture was stirred at the room temperature for one night. After the reaction was completed, ice was added slowly, and then concentrated hydrochloric acid was added. The formed precipitates were separated by filtration and washed well with water, and 32 g of the benzoic acid compound of the object compound was obtained (the yield: 54%; a white powder).

Reference： [1]Patent: EP1440959,2004,A1 .Location in patent: Page 21-22

37
[ 565471-96-7 ]
[ 32703-79-0 ]
[ 565472-23-3 ]

Yield	Reaction Conditions	Operation in experiment
		(26) Ethyl 3-(5-t-butyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate Ethyl 3-(5-t-butyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]-dioxolan-2-yl)propionate was prepared (0.54 g, 35%) in the same manner as described in the above example 5 (20) from ethyl 3-amino-2-(2-methyl-[1,3]dioxolan-2-yl)propionate (0.80 g, 3.94 mmol) and <strong>[32703-79-0]4-t-butylphthalic anhydride</strong> (0.88 g, 4.33 mmol), and the obtained product was identified with the following NMR data. 1H NMR (CDCl3, 300 MHz) delta 7.78 (s, 1H. ph), 7.64 (dd, 2H. ph, J=12.8 Hz, J=1.3 Hz), 4.07-3.87 (m, 8H, acetal H, -CHCH2NPht, -OCH2CH3), 3.21 (m, 1H, -CHCH2NPht), 1.44 (s, 3H, CH3), 1.29 (s, 9H, C(CH3)3), 1.10 (t, 3H, -OCH2CH3, J=7.1 Hz) 13C NMR (CDCl3, 300 MHz) 170.8, 168.7, 158.9, 132.6, 131.3, 129.7, 123.4, 120.8, 109.0, 65.3, 65.1, 31.3, 51.9, 36.9, 36.1, 31.5, 22.1, 14.4.

Reference： [1]Patent: US2003/139464,2003,A1

38
[ 565471-95-6 ]
[ 32703-79-0 ]
[ 565472-05-1 ]

Yield	Reaction Conditions	Operation in experiment
		(8) Methyl 3-(5-t-butyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate Methyl 3-(5-t-butyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]-dioxolan-2-yl)propionate was prepared (0.14 g, 14%) in the same manner as described in the above example 5 (1) from methyl 3-amino-2-(2-methyl-[1,3]dioxolan-2-yl)propionate (0.50 g, 2.64 mmol) and <strong>[32703-79-0]4-t-butylphthalic anhydride</strong> (0.70 g, 3.43 mmol), and the obtained product was identified with the following NMR data. 1H NMR (CDCl3, 300 MHz) delta 7.86 (s, 1H, ph), 7.73 (m, 2H, ph), 3.99 (m, 6H, -CHCH2NPht, acetal H), 3.58 (s, 3H, -CO2CH3), 3.28 (dd, 1H, -CHCH2NPht, J=8.3 Hz, J'=6.5 Hz), 1.50 (s, 3H, -COCH3, 1.33 (s, 9H, -C(CH3)3) 13C NMR (CDCl3, 300 MHz) delta 173.0, 171.6, 168.3, 168.4, 158.9, 156.6, 155.1, 134.4, 130.9, 129.7, 127.9, 109.0, 65.3, 62.2, 60.3, 52.5, 36.9, 61.5, 22.1, 14.5.

Reference： [1]Patent: US2003/139464,2003,A1

39
[ 32703-79-0 ]
[ 24544-04-5 ]
5-tert-butyl-N-(o,o'-diisopropylphenyl)phthalimide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In hexane; dichloromethane; ethyl acetate;	Synthesis Example 10 Synthesis of N-(2,6-diisopropylphenyl)-5-tert-butyl phthalimide (Compound No.173 as Described Hereinafter) 0.605 g of <strong>[32703-79-0]4-tert-butylphthalic anhydride</strong> and 0.630 g of 2,6-diisopropylaniline were mixed, and the mixture was reacted at a temperature of 200 C. for 1 hour. After the reaction was finished, the reaction mixture was dissolved in ethyl acetate, washed with sodium hydrogen carbonate aqueous solution, washed with water, and washed with saturated aqueous sodium chloride. Then, it was dried over anhydrous magnesium sulfate and subjected to filtration. The filtrate was concentrated and dried and solidified. Then, it was recrystallized by using a mixture of hexane and dichloromethane, to obtain 0.7055 g of the specified substance having a melting point of 234.0-234.8 C.

Reference： [1]Patent: US6429212,2002,B1

40
[ 219508-60-8 ]
[ 32703-79-0 ]
[ 219507-25-2 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran;	EXAMPLE 17 Preparation of N-(6-Indazolyl)-2-(5-t-butyl-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)benzamide To a stirring solution of 2-amino-N-(1-Boc-6-indazolyl)benzamide (1 g, 2.8 mmol) in THF (30 mL) was added <strong>[32703-79-0]4-t-butylphthalic anhydride</strong> (1.2 g, 5.9 mmol) and the solution was heated to reflux. After 72 h, the vessel was cooled and the volume was reduced to about 10 mL in vacuo. The mixture was diluted with diethyl ether (20 mL) and after sonication, a white solid was collected. This solid was processed by methods substatially equivalent to those described in Example 2-F to give 200 mg of N-(6-indazolyl)-2-(5-t-butyl-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)benzamide. 1H NMR FD-MS, m/e 438.2 (M+) Anal. for C26H22N4O3.0.5H2O: Calc: C, 69.79; H, 5.18; N, 12.51. Found: C, 69.69; H, 5.48; N, 11.56.

Reference： [1]Patent: US6372759,2002,B1

41
[ 247157-95-5 ]
[ 32703-79-0 ]
[ 886592-55-8 ]
[ 886592-56-9 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; dichloromethane; for 72h;	EXAMPLE 18; 5-tert-Butyl-2-{2-r2-(4-methylpiperazin-1-yl)phenv?ethyl>isoindole-1,3-dione.PP5 (0.10 g, 0.455 mmol) and <strong>[32703-79-0]4-t-butylphthalic anhydride</strong> (0.094 g, 0.460 mmol) were stirred vigorously in CH2CI2 (6 ml_)/ THF (4 ml_) for 3 days. The reaction was concentrated and the residual solid was triturated with EtOAc to give 108 mg (56%) of a 1 :1 mixture of regioisomeric acids, 4-tert-butyl-N-{2-[2-(4-methylpiperazin-1 -yl)phenyl]-ethyl}-phthalamic acid and 5-tert-butyl-N-{2-[2-(4-methylpiperazin-1-yl)phenyl]-ethyl}-phthalamic acid. This mixture was refluxed in glacial HOAc (3 ml.) for 4 hrs, cooled and concentrated to give 70 mg of orange oil. Chromatography with 10% MeOH/ EtOAc gave 33mg (35%) of Example 18 as an oil, the HCI salt of which had: mp 153-157C; NMR (MeOH-d4) 7.85-7.82 (m, 2H), 7.72 (d, J =7.9 Hz, 1 H), 7.21-7.19 (m, 3H), 7.05 (m, 1 H), 3.89, (t, J = 7.5 Hz, 2H), 3.59-3.56 (m, 2H),3.48-3.42 (m, 3H), 3.28-3.14 (m, 3H), 3.01 (s, 3H), 2.99-2.95 (m, 2H) 1.36 (s, 9H).

Reference： [1]Patent: WO2006/48727,2006,A1 .Location in patent: Page/Page column 56

42
[ 1445-45-0 ]
[ 32703-79-0 ]
dimethyl 4-amino-5-t-butylphthalate [ No CAS ]
dimethyl 4-nitro-5-t-butylphthalate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; nitric acid; In methanol;	EXAMPLE I Preparation of dimethyl 4-amino-5-t-butylphthalate A mixture of 70 g. of <strong>[32703-79-0]4-t-butylphthalic anhydride</strong> and 65 ml. of concentrated sulfuric acid was stirred at room temperature while adding 60 ml. of 90% nitric acid. The rate of addition was slow and controlled such that the temperture of the mixture did not go above 60 C, although the nitration reaction can be carried out at any temperature within the range of -20 to 120 C. After the addition was complete (2 hours) an additional 50 ml. of concentrated nitric acid was added over a 20 minute period. The reaction mixture was allowed to cool and was then stirred for 4 days. The mixture was then poured onto 800 g. of ice and the layers allowed to separate. The upper layer (water and acid) was decanted off and the residue dissolved in 500 ml. of ether. The ether solution was washed five times with 100 ml. of water, dried with MgSO4, filtered, and the ether removed under reduced pressure. The residual oil was esterified with 150 ml. of trimethyl orthoacetate by mixing the two and distilling off methanol, methyl acetate, and the excess reagent. The crude product was mixed with 400 ml. of methanol and cooled to 10 C. for 20 hours. Filtering and drying gave 33.2 g. of crystalline material. Recrystallization from methanol (125 ml.) gave 30.1 g. of pure dimethyl 4-nitro-5-t-butylphthalate, m.p. 80 -81 C.

Reference： [1]Patent: US4078142,1978,A

43
[ 32703-79-0 ]
[ 57-13-6 ]
tin(ll) chloride [ No CAS ]
[ 83218-80-8 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 2836 - 2853

44
[ 32703-79-0 ]
copper(l) chloride [ No CAS ]
[ 39001-64-4 ]

Reference： [1]Monatshefte fur Chemie,1986,vol. 117,p. 475 - 490

45
[ 32703-79-0 ]
[ 7646-79-9 ]
[ 70619-85-1 ]

Reference： [1]Inorganic Chemistry,1984,vol. 23,p. 1065 - 1071

46
tin(II) iodide [ No CAS ]
[ 32703-79-0 ]
[ 57-13-6 ]
[ 83218-81-9 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 2836 - 2853

47
[ 32703-79-0 ]
nickel dichloride [ No CAS ]
[ 146442-33-3 ]
[ 146442-34-4 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1993,p. 58 - 60

48
[ 32703-79-0 ]
[ 141-43-5 ]
[ 104638-94-0 ]

Reference： [1]European Journal of Medicinal Chemistry,2009,vol. 44,p. 1650 - 1663

49
[ 32703-79-0 ]
[ 14236-13-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 5162 - 5165

50
[ 32703-79-0 ]
[ 108-46-3 ]
5-tert-butyl-7a-(6'-hydroxy-3'-oxo-3H-xanthen-9'-yl)benzoic acid [ No CAS ]
6-tert-butyl-7a-(6'-hydroxy-3'-oxo-3H-xanthen-9'-yl)benzoic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 6922 - 6933

51
[ 32703-79-0 ]
[ 108-46-3 ]
5-tert-butyl-7a-(6'-hydroxy-2',4',5',7'-tetraiodo-3'-oxo-3H-xanthen-9'-yl)benzoic acid [ No CAS ]
6-tert-butyl-7a-(6'-hydroxy-2',4',5',7'-tetraiodo-3'-oxo-3H-xanthen-9'-yl)benzoic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 6922 - 6933

52
[ 32703-79-0 ]
[ 634-91-3 ]
[ 1293923-75-7 ]

Yield	Reaction Conditions	Operation in experiment
58%		General procedure: A solution of 3,4,5-trichloroaniline (1.96 g, 10 mmol) and acid anhydride (10 mmol) in glacial acetic acid (20 mL) was refluxed for 3 h. The solvent was removed under reduced pressure until the volume reached ca. 5 mL. After addition of 10 mL of acetic anhydride, the solution was refluxed again for 20 h. The solvent was removed under reduced pressure. The residue was neutralized by a solution of sodium bicarbonate (4%) until effervescence ceased. The precipitate obtained was washed with water, dried (P2O5) and recrystallized from an appropriate solvent.

Reference： [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 1648 - 1655

53
[ 32703-79-0 ]
[ 24313-88-0 ]
[ 1293923-39-3 ]

Yield	Reaction Conditions	Operation in experiment
63%	With acetic acid; for 12h;Reflux;	General procedure: A solution of 3,4,5-trimethoxyaniline (1.83 g, 10 mmol) and acid anhydride (10 mmol) in glacial acetic acid (15 mL) was heated under reflux for 12 h. After the evaporation of the reaction mixture to dryness under reduced pressure, the residue was neutralized by a solution of sodium bicarbonate (4%) until effervescence ceased. The precipitate obtained was washed with water, dried (P2O5) and recrystallized from an appropriate solvent.

Reference： [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 1648 - 1655

54
[ 32703-79-0 ]
[ 1202803-69-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

55
[ 32703-79-0 ]
[ 1202803-70-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

56
[ 32703-79-0 ]
[ 1202803-72-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

57
[ 32703-79-0 ]
[ 1202803-73-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

58
[ 32703-79-0 ]
C₁₈H₁₆Cl₂O₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

59
[ 32703-79-0 ]
C₂₅H₂₂Cl₂N₂O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

60
[ 32703-79-0 ]
C₂₅H₂₂Cl₂N₂O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

61
[ 32703-79-0 ]
[ 108-90-7 ]
[ 106679-29-2 ]
[ 106679-33-8 ]

Yield	Reaction Conditions	Operation in experiment
	With aluminum (III) chloride; at 90℃; for 2h;	General procedure: A mixture of the corresponding phthalic anhydride (1 mol. equiv.), the appropriate halobenzene (8 mol. equiv.), and aluminium chloride (2.4 mol. equiv.) was heated at 90 oC for 2h, then cooled to room temperature. Ice was added followed by conc. HCl (5 mL) and the mixture was extracted into DCM (3 x 50 mL) and washed with 10% Na2CO3 solution (2 x 50 mL). The Na2CO3 washings were combined and acidified to pH3 with conc. HCl acid. The resulting precipitate was collected by filtration and dried in a vacuum oven.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5916 - 5919

62
[ 32703-79-0 ]
[ 13637-68-8 ]
[ 57-13-6 ]
(MoO)2N₁₂C₃₄H₁₂(C(CH₃)3)4 [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 3411 - 3418

63
[ 32703-79-0 ]
[ 1373520-14-9 ]

Reference： [1]Russian Journal of Physical Chemistry,2012,vol. 86,p. 366 - 368

64
[ 32703-79-0 ]
[ 188938-97-8 ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 18916 - 18919

65
[ 32703-79-0 ]
[ 1409917-66-3 ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 18916 - 18919

66
[ 32703-79-0 ]
6-tert-butyl-1-chlorobenzo[c]thiophene [ No CAS ]
6-tert-butyl-1-chlorobenzo[c]thiophene [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 18916 - 18919

67
[ 32703-79-0 ]
C₁₂H₁₂Cl₄S [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 18916 - 18919

68
[ 138-39-6 ]
[ 32703-79-0 ]
[ 1429784-75-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 2601 - 2605

69
[ 32703-79-0 ]
[ 63-74-1 ]
[ 1429784-76-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 2601 - 2605

70
[ 32703-79-0 ]
[ 150-13-0 ]
[ 494764-56-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 2601 - 2605

71
[ 32703-79-0 ]
[ 501-65-5 ]
6-(tert-butyl)-1,2,3,4-tetraphenylnaphthalene [ No CAS ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3816 - 3819

72
[ 32703-79-0 ]
[ 55289-36-6 ]
[ 1231890-91-7 ]

Yield	Reaction Conditions	Operation in experiment
45.2%	With acetic acid; at 100℃; for 2h;	4.1.38 2-(3-Bromo-2-methylphenyl)-5-(tert-butyl)isoindoline-1,3-dione (7l) A mixture of <strong>[32703-79-0]5-(tert-butyl)isobenzofuran-1,3-dione</strong> (93 mg, 0.5 mmol), 3-bromo-2-methylaniline (100 mg, 0.5 mmol) in AcOH (2 mL) was stirred at 100 C for 2 h. The reaction mixture was cooled down to room temperature and diluted with water (10 mL), and then the NaHCO3 solution was added. The product was extracted three times with EtOAc (30 mL) and the combined organic layer was dried over Na2SO4. The solvent was removed in vacuo and the residue product was purified on a silica gel column using petroleum ether/EtOAc (4:1, v/v) as eluent to afford 7l (83 mg, 45.2%) as a gray solid. MS (ESI) m/z 372.1 [M+H]+; 1H NMR (400 MHz, DMSO-d6): delta 7.97-7.95 (m, 1H), 8.42 (s, 1H), 7.93-7.91 (d, J = 8.60 Hz, 1H), 7.77-7.75 (d, J = 8.00 Hz, 1H), 7.44-7.43 (d, J = 7.72 Hz, 1H), 7.33-7.29 (t, J = 15.90 Hz, 1H), 2.17 (s, 3H), 1.38 (s, 9H).
	With acetic acid; at 100℃; for 1h;	To a solution of <strong>[32703-79-0]4-tert-butylphthalic anhydride</strong> (4.39 g, 21.5 mmol) in acetic acid (40 mL), 3-bromo-2-methylaniline(2.65 mL, 21.5 mmol) was added and stirred at 100 C for 1 h. The reaction mixture was concentrated under reducedpressure, and diluted with ethyl acetate (300 mL), washed with water (100 mL), saturated sodium hydrogen carbonatesolution (100 mL) and brine (100 mL), dried over sodium sulfate, filtered and concentrated. The crude material was suspended in hexane, then the precipitate was collected by filtration, washed with hexane then dried to afford 2-(3-bromo-2-methylphenyl)-5-(tert-butyl)isoindoline-1,3-di one (7.0 g). 1H NMR (400 MHz, CDCl3) delta 8.00 (dd, J = 1.7, 0.7 Hz, 1H), 7.93 - 7.77 (m, 2H), 7.67 (dd, J = 7.6, 1.8 Hz, 1H),7.24 - 7.12 (m, 2H), 2.27 (s, 3H), 1.42 (s, 9H).

Reference： [1]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 348 - 364
[2]Patent: EP2824099,2015,A1 .Location in patent: Paragraph 0116; 0117

73
[ 32703-79-0 ]
[ 55289-36-6 ]
5-(tert-butyl)-2-(2-methyl-3-(1-methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindoline-1,3-dione [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 348 - 364

74
[ 32703-79-0 ]
[ 1231891-00-1 ]

Reference： [1]Patent: EP2824099,2015,A1

75
[ 32703-79-0 ]
5-(tert-butyl)-2-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoindolin-1-one [ No CAS ]

Reference： [1]Patent: EP2824099,2015,A1

76
[ 32703-79-0 ]
2-[3-(4-amino-6-[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-5-(tert-butyl)isoindolin-1-one [ No CAS ]

Reference： [1]Patent: EP2824099,2015,A1

77
[ 18638-99-8 ]
[ 32703-79-0 ]
5-(tert-butyl)-2-(3,4,5-trimethoxybenzyl)isoindoline-1,3-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87%	With acetic acid; for 4h;Reflux;	General procedure: A solution of substituted benzyl amine (10 mmol) and an acid anhydride (10 mmol) in glacial acetic acid (15mL) was heated under reflux for 4h. After the evaporation of the reaction mixture to dryness under reduced pressure, the residue was neutralised by a solution of sodium bicarbonate (4%) until effervescence ceased. The precipitate obtained was washed with water, dried and re-crystallised from an appropriate solvent.

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 115 - 123

78
[ 32703-79-0 ]
[ 2393-23-9 ]
5-(tert-butyl)-2-(4-methoxybenzyl)isoindoline-1,3-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79%	With acetic acid; for 4h;Reflux;	General procedure: A solution of substituted benzyl amine (10 mmol) and an acid anhydride (10 mmol) in glacial acetic acid (15mL) was heated under reflux for 4h. After the evaporation of the reaction mixture to dryness under reduced pressure, the residue was neutralised by a solution of sodium bicarbonate (4%) until effervescence ceased. The precipitate obtained was washed with water, dried and re-crystallised from an appropriate solvent.

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 115 - 123

79
[ 32703-79-0 ]
[ 140-75-0 ]
5-(tert-butyl)-2-(4-fluorobenzyl)isoindoline-1,3-dione [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	With acetic acid; for 4h;Reflux;	General procedure: A solution of substituted benzyl amine (10 mmol) and an acid anhydride (10 mmol) in glacial acetic acid (15mL) was heated under reflux for 4h. After the evaporation of the reaction mixture to dryness under reduced pressure, the residue was neutralised by a solution of sodium bicarbonate (4%) until effervescence ceased. The precipitate obtained was washed with water, dried and re-crystallised from an appropriate solvent.

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 115 - 123

80
copper(II) acetate dihydrate [ No CAS ]
[ 32703-79-0 ]
[ 1135-32-6 ]
[Cu₂(1,2-bis(4-pyridyl)ethene)₂(tbph)₂]_n [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In water; at 119.84℃; for 72h;Autoclave;	Complex1was prepared according to the methods as follows.A mixture of <strong>[32703-79-0]4-tert-butyl-phthalic anhydride</strong> (40.6 mg,0.2 mmol), Cu(OAc)2¢2H2O (19.1 mg, 0.1 mmol), bpe(36.4 mg, 0.20 mmol), and KOH (11.2 mg, 0.2 mmol) wereadded to water (10 mL) in a 25 mL Teflon-lined autoclave.The mixture was heated at 393 K for three days and thenslowly cooled down to room temperature. Traces of blue blockcrystals of 1 were obtained. Anal. Calcd. (%) forC48H44Cu2N4O8: C, 61.86; H, 4.76; N, 6.01. Found, C, 61.78;H, 4.71; N, 6.08. IR (cm1): 2962 w, 1614 s, 1563 m, 1543 m,1427 m, 1408 m, 1359 m, 1335 s, 1251 m, 1028 m, 835 s,810 m, 789 m, 741 m, 677 m.Complex2 was carried out in a similar way to thatdescribed for1, except that <strong>[32703-79-0]4-tert-butyl-phthalic anhydride</strong>was replaced by H2mph (36.0 mg, 0.2 mmol). Blue block crystals of 2 were obtained. Anal. Calcd. (%) forC36H31CuN3O9: C, 60.63; H, 4.38; N, 5.89. Found: C, 60.54;H, 4.30; N, 5.76. IR (cm1): 3632 w, 2911 w, 1715 m,1608 m, 1532 s, 1506 s, 1402 s, 1373 s, 1302 m, 1223 m,1209 m, 1022 m, 984 m, 969 m, 894 m, 678 s.

Reference： [1]Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry,2016,vol. 46,p. 338 - 342

81
[ 32703-79-0 ]
[ 99840-59-2 ]

Yield	Reaction Conditions	Operation in experiment
52%	With trimethylsilylazide; In tetrahydrofuran; for 30h;Reflux;	General procedure: To a solution of phthalic anhydride in THF (1.0 mm), TMSA (4.0 equiv.) was added and the mixture was refluxed with stirring for 30 h. The resulting solution was concentrated in vacuo until a solid formed. The solid was washed with diethyl ether (5×4 ml) to obtain high purity imidazolin-2-ones 3.

Reference： [1]Mendeleev Communications,2016,vol. 26,p. 69 - 71

82
[ 32703-79-0 ]
C₁₂H₁₆Cl₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 11325 - 11328
Angew. Chem.,

83
[ 32703-79-0 ]
6-(tert-butyl)-2,3-bis(methoxymethyl)naphthalene [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 11325 - 11328
Angew. Chem.,

84
[ 110-86-1 ]
[ 32703-79-0 ]
[ 2067-80-3 ]
iron(II) chloride [ No CAS ]
bispyridine-2,10,16,24-tetra(tert-butyl)(15N8)phthalocyaninatoiron(II) [ No CAS ]
bispyridine-2,9,16,23-tetra(tert-butyl)(15N8)phthalocyaninatoiron(II) [ No CAS ]
bispyridine-2,9,17,24-tetra(tert-butyl)(15N8)phthalocyaninatoiron(II) [ No CAS ]
bispyridine-2,9,16,24-tetra(tert-butyl)(15N8)phthalocyaninatoiron(II) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of 15N labeled tetra-tertbutyl-phthalocyanine (8) (20 mg, 0.027 mmol) and anhydrous FeCl2 (10mg 0.08 mmol) was refluxed in distilled and dry pyridine for 6 h under nitrogen. After the reaction mixture was cooled to room temperature, it was poured into water and then the precipitate was filtered and dried under reduced pressure. The crude product was puried by column chromatography (silica gel, ethyl acetate/hexane,1/3). The product was obtained as a blue solid. Yield: MS: 19 mg, 74%, 1H NMR (500 MHz, CDCl3) 9.36 (4H, m, Pc-H), 9.24 (4H, m, Pc-H), 8.04 (4H,m, Pc-H), 5.83 (2H, t, py- -H, J = 7.49), 4.59 (4H, t, Py- -H, J = 7.1), 2.15 (4H, d, Py-alpha-H, J = 5.5),1.77 (36H, m, C-(CH3)3) . m=z 800.207 [M-2Py]+, 817.258 [M-2Py+OH]+.

Reference： [1]Turkish Journal of Chemistry,2016,vol. 40,p. 163 - 173

85
[ 32703-79-0 ]
[ 2067-80-3 ]
[ 7646-85-7 ]
2,10,16,24-tetra(tert-butyl)(15N8)phthalocyaninatozinc(II) [ No CAS ]
2,9,16,23-tetra(tert-butyl)(15N8)phthalocyaninatozinc(II) [ No CAS ]
2,9,17,24-tetra(tert-butyl)(15N8)phthalocyaninatozinc(II) [ No CAS ]
2,9,16,24-tetra(tert-butyl)(15N8)phthalocyaninatozinc(II) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ammonium molybdate; at 20 - 220℃; for 4h;	General procedure: 4-tert-Butylphthalic anhydride (5) (1 eq), urea-15N2 (4 eq), metal salt (0.3 eq) (ZnCl2 or NiCl2) , and 5% of the stoichiometric amount of ammonium molybdate were suspended in 1-chloronaphthalene and the temperature was slowly raised to 220 C over 2 h. The reaction mixture was stirred for 2 h at this temperature. After the reaction mixture was cooled to room temperature, it was diluted with petroleum ether and filtered. The filtrate was dried under vacuum. The products were puried with column chromatography using silica gel and an ethylacetate/hexane (1/3) mixture and obtained as a mixture of four constitutional isomers. Both products were obtained as blue solids.

Reference： [1]Turkish Journal of Chemistry,2016,vol. 40,p. 163 - 173

86
[ 32703-79-0 ]
[ 2067-80-3 ]
2,10,16,24-tetra(tert-butyl)(15N8)phthalocyanine [ No CAS ]
2,9,16,23-tetra(tert-butyl)(15N8)phthalocyanine [ No CAS ]
2,9,17,24-tetra(tert-butyl)(15N8)phthalocyanine [ No CAS ]
2,9,16,24-tetra(tert-butyl)(15N8)phthalocyanine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Zinc phthalocyanine (6) (40 mg, 0.05 mmol) and pyridine.HCl (1 g, 8.7 mmol) were dissolved in 5 mL of pyridine and the mixture was refluxed under N2 for 16 h. After the reaction mixture was cooled to room temperature, 10 mL of water was added and the product was precipitated. The precipitate was washed first with water and then with methanol. After drying in vacuo the product was puried by column chromatography on silica gel by using ethyl acetate/hexane (1/3) eluent. The product was obtained as a dark blue solid. Yield 74%, FTIR ( , cm1) : 3283, 3071, 2956, 2907, 2866, 1617, 1485, 1258, 1089, 1000, 827, 741.1H NMR (500 MHz, CDCl3) : , ppm 9.14{8.62 (8H, m, Pc-H), 8.17{8.04 (4H, m, Pc-H), 1.94{1.89 (36H, m,C-(CH3)3) , {2.67{ {3.46 (2H, m, N-H), MS: m/z 747.079 [M+H]+.

Reference： [1]Turkish Journal of Chemistry,2016,vol. 40,p. 163 - 173

87
[ 32703-79-0 ]
[ 2067-80-3 ]
nickel dichloride [ No CAS ]
2,9,16,23-tetra(tert-butyl)(15N8)phthalocyaninatonickel(II) [ No CAS ]
2,10,16,24-tetra(tert-butyl)(15N8)phthalocyaninatonickel(II) [ No CAS ]
2,9,17,24-tetra(tert-butyl)(15N8)phthalocyaninatonickel(II) [ No CAS ]
2,9,16,24-tetra(tert-butyl)(15N8)phthalocyaninatonickel(II) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ammonium molybdate; at 20 - 220℃; for 4h;	General procedure: 4-tert-Butylphthalic anhydride (5) (1 eq), urea-15N2 (4 eq), metal salt (0.3 eq) (ZnCl2 or NiCl2) , and 5% of the stoichiometric amount of ammonium molybdate were suspended in 1-chloronaphthalene and the temperature was slowly raised to 220 C over 2 h. The reaction mixture was stirred for 2 h at this temperature. After the reaction mixture was cooled to room temperature, it was diluted with petroleum ether and filtered. The filtrate was dried under vacuum. The products were puried with column chromatography using silica gel and an ethylacetate/hexane (1/3) mixture and obtained as a mixture of four constitutional isomers. Both products were obtained as blue solids.

Reference： [1]Turkish Journal of Chemistry,2016,vol. 40,p. 163 - 173

88
[ 32703-79-0 ]
[ 20859-02-3 ]
(S)-N-(4-tert-butylphthalimido)-tert-leucine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	With triethylamine; In toluene; for 12h;Inert atmosphere; Reflux;	[0056] To a mixture of 4-/er/-butylphthalic anhydride (0.514g, 2.52 mmol) and ter/-leucine (0.3g, 2.29 mmol) in anhydrous toluene, triethylamine (0.1 equiv) was added and the mixture was heated to reflux for 12 hours under nitrogen atmosphere. The reaction mixture was then diluted with ethyl acetate, washed with 0. I M HQ solution, dried over anhydrous Na2S04, filtered and concentrated in vacuo. The residue was then purified on silica gel column chromatography using ethyl acetate-ft-hexane as an eluent to provide a colourless oil (0.7 g, 96%); [a]D25 = -0.35 ( 1 , CHCI3); R/= (1 : 1 ethyl acetate: ??-hexane); 1 H IM MR (400 MHz, CDCI3): delta; 7.88-7.71 (m, 3H, Ar-H), 4.69 (s, 1 H, NCH), 1 .34 (s, 9H, C(CHj)3), 1.15 (s, 9H, C(CHj)3); 1 C NMR (100 MHz, CDCI3): delta 173.3 (COOH ). 168.4, 168.0 (2 x CON), 158.9, 131 .8, 131 .3, 128.9, 123.4, 120.8 (6 x Ar-C), 59.8 (NCH), 35.7, 35.6 (2 x C(CH3)3), 31 .1 , 27.9 (2 x C(CH3)3); IR (film) v 2963, 2873, 171 1 , 1372, 1 101 , 908, 729 cm"1.

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 3447 - 3461
[2]Patent: WO2016/37223,2016,A1 .Location in patent: Paragraph 0055-0056

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Ghs Precautionary Statements

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P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 32703-79-0 ] {[proInfo.proName]}

Quality Control of [ 32703-79-0 ]

Related Doc. of [ 32703-79-0 ]

Product Details of [ 32703-79-0 ]

Calculated chemistry of [ 32703-79-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 32703-79-0 ]

Application In Synthesis of [ 32703-79-0 ]

[ 32703-79-0 ] Synthesis Path-Upstream 1~8

[ 32703-79-0 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 32703-79-0 ]

Acid Anhydrides

Esters

Related Parent Nucleus of [ 32703-79-0 ]

Benzofurans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 32703-79-0 ]

Related Parent Nucleus of
[ 32703-79-0 ]