ChemicalBook--->CAS DataBase List--->52798-01-3

52798-01-3

52798-01-3 Structure

52798-01-3 Structure
IdentificationBack Directory
[Name]

METHYL (4-CYANOPHENYL)ACETATE
[CAS]

52798-01-3
[Synonyms]

METHYL (4-CYANOPHENYL)ACETATE
METHYL 2-(4-CYANOPHENYL)ACETATE
4-Cyanophenylacetic acid methyl ester
p-Cyanophenyl acetic acid methyl ester
Benzeneacetic acid, 4-cyano-, Methyl ester
[Molecular Formula]

C10H9NO2
[MDL Number]

MFCD02181140
[MOL File]

52798-01-3.mol
[Molecular Weight]

175.18
Chemical PropertiesBack Directory
[Melting point ]

221 °C
[Boiling point ]

289.9±23.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[color ]

Off-white
[InChI]

InChI=1S/C10H9NO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6H2,1H3
[InChIKey]

OHTZXQYRHDVXLJ-UHFFFAOYSA-N
[SMILES]

C1(CC(OC)=O)=CC=C(C#N)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

3276
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

Methyl (4-cyanophenyl)acetate was a useful reagent in studying pyrazolopyridinones as functionally selective GABAA ligands.
[Synthesis]

Methanol

67-56-1

4-CYANOPHENYLACETIC ACID

5462-71-5

METHYL (4-CYANOPHENYL)ACETATE

52798-01-3

The general procedure for the synthesis of methyl 2-(4-cyanophenyl)acetate from methanol and 4-cyanophenylacetic acid was as follows: concentrated sulfuric acid (98%, 4.5 g, 54.8 mmol) was added slowly and dropwise to 40 ml of methanol solution of 4-cyanophenylacetic acid (3 g, 18.0 mmol), and the reaction mixture was stirred for 4 h at room temperature. After completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted with saturated aqueous sodium bicarbonate solution to 8. Subsequently, the reaction mixture was extracted with ethyl acetate. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give methyl 2-(4-cyanophenyl)acetate 3.2 g in 98% yield.

[References]

[1] Journal of Organic Chemistry, 2009, vol. 74, # 6, p. 2598 - 2600
[2] Patent: CN107474024, 2017, A. Location in patent: Paragraph 0602; 0603; 0604
[3] Patent: WO2013/8162, 2013, A1. Location in patent: Page/Page column 58; 59
[4] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 2, p. 131 - 134
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL (4-CYANOPHENYL)ACETATE(52798-01-3)1HNMR
52798-01-3 suppliers list
Company Name: Changzhou Anxuan Chemical, Co., Ltd.  Gold
Telephone: 13912302692
Website: http://www.anxuanchem.com
Company Name: Changzhou Bohan Chemical Co., Ltd  Gold
Telephone: 15851960282
Website: www.chemicalbook.com/ShowSupplierProductsList229627/0_EN.htm
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Wuhan ariel chemical Co., LTD.  
Telephone: 18986259541 18986259541
Website: http://www.3stc.com
Company Name: Hangzhou Sage Chemical Co., Ltd.  
Telephone: +86057186818502 13588463833
Website: www.sagechem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: 021-58170097
Website: www.topbiochem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Shanghai HuanChuan Industry Co.,Ltd.  
Telephone: 021-61478794
Website: www.hcshhai.com
Company Name: Shanghai Yongye Biotechnology Co., Ltd.  
Telephone: 86-021-61559134 15921386130
Website: www.shyongye.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66028182 17714375163
Website: www.aikonchem.com
Company Name: Cool Pharm, Ltd  
Telephone: 021-60455363 18019463053
Website: www.coolpharm.com
Company Name: Shanghai YuanQi Biotechnology Co., Ltd.  
Telephone: +86-2332782371 +86-18120098618
Website: www.chemicalbook.com/ShowSupplierProductsList16784/0_EN.htm
Company Name: Zhengzhou Alfachem Co., Ltd.  
Telephone: 0371-53765687 18937137882
Website: https://www.chemicalbook.com/supplier/10084342/
Tags:52798-01-3 Related Product Information