ChemicalBook--->CAS DataBase List--->52787-19-6

52787-19-6

52787-19-6 Structure

52787-19-6 Structure
IdentificationBack Directory
[Name]

2-(3-(methoxycarbonyl)phenyl)acetic acid
[CAS]

52787-19-6
[Synonyms]

[3-(Methoxycarbonyl)phenyl]acetic acid
2-(3-(methoxycarbonyl)phenyl)acetic acid
Benzeneacetic acid, 3-(methoxycarbonyl)-
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD18459189
[MOL File]

52787-19-6.mol
[Molecular Weight]

194.18
Chemical PropertiesBack Directory
[Melting point ]

83-84 °C
[Boiling point ]

350.8±25.0 °C(Predicted)
[density ]

1.254±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.17±0.10(Predicted)
[Appearance]

White to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-(methoxycarbonyl)phenyl)acetic acid(52787-19-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

methyl 3-(2-methoxy-2-oxoethyl)benzoate

52787-20-9

2-(3-(methoxycarbonyl)phenyl)acetic acid

52787-19-6

Methyl 3-(methoxycarbonyl)benzoate 76 (500 mg, 2.40 mmol) was used as a raw material and dissolved in methanol (10 mL). To this solution was added a solution of K2CO3 (700 mg, 5.07 mmol) in water (10 mL) and the reaction was stirred overnight at room temperature. Upon completion of the reaction, the reaction mixture was concentrated and dissolved in water (20 mL). Subsequently, the unreacted diester 76 was extracted with water and EtOAc, and the aqueous phase was acidified with 1N HCl and then extracted with EtOAc (30 mL x 2). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated in vacuum. The crude product was purified by silica gel column chromatography (eluent: hexane/EtOAc, 5:1) to afford the target product 2-(3-(methoxycarbonyl)phenyl)acetic acid 77 (508 mg, 90% yield). The product was detected by TLC (Rf = 0.36), 1H NMR (400 MHz, methanol-d4) δ 7.97 (d, J = 1.7 Hz, 1H), 7.91 (dt, J = 7.8,1.4 Hz, 1H), 7.57-7.49 (m, 1H), 7.43 (t, J = 7.6 Hz, 1H), 3.91 (s, 3H), and 3.67 (s, 2H); mass spectral analysis showed [M + H]+ = 195.14 (APCI+).

[References]

[1] Patent: WO2013/52110, 2013, A1. Location in patent: Page/Page column 63; 65
[2] Journal of the Indian Chemical Society, 1987, vol. 64, # 1, p. 34 - 37
[3] Chimica Therapeutica, 1973, vol. 8, # 4, p. 487 - 494
52787-19-6 suppliers list
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Company Name: Adobe Chem Co., Ltd.  
Telephone: 2332782371
Website: www.adobechem.cn
Company Name: Wuxi AppTec  
Telephone: 022-59987777 13552403979
Website: www.labnetwork.com
Company Name: Aikon International Limited  
Telephone: 025-58859352 19370895928
Website: www.aikonchem.com
Company Name: Yujinpharma(Tianjin) Technology Co.,Ltd.  
Telephone: 13370351217 kungfu1217@1
Website: http://www.yujinpharma.com
Company Name: SuZhou Medinoah Co.,LTD.  
Telephone: 0512-69561983 13914027025
Website: http://www.medinoah.com/
Company Name: DILICHEM  
Telephone: 0519-0519-81238123 18014346496
Website: https://www.chemicalbook.com/ShowSupplierProductsList30678/0_EN.htm
Company Name: Shanghai Jizhi Biochemical Technology Co. Ltd.  
Telephone: 021-4009004166/18616739031 18616739031
Website: www.acmec-e.com/
Company Name: Cool Pharm, Ltd  
Telephone: 021-58581007 18019463053
Website: http://www.coolpharm.com.cn
Company Name: Beijing Minruida Technology Co., Ltd.  
Telephone: 010-82387566
Website: http://www.mreda.com.cn/
Company Name: Fan De(Beijing) Biotechnology Co., Ltd.  
Telephone: 15911056312
Website: www.bio-fount.com
Company Name: Henan Alpha Chemical Co., Ltd.  
Telephone: 0371-55055611 18137792234
Website: https://www.chemicalbook.com/ShowSupplierProductsList31206/0.htm
Company Name: Win-Win chemical CO., Limited  
Telephone: +86-0086-577-64498589 +86-15355981851
Website: https://www.win-winchemical.com/
Company Name: Amel Pharmatech Corporation  
Telephone: 027-888-4366503 13986279625
Website: www.amelpharmatech.com/
Company Name: Shanghai Kaiwei Chemical Technology Co., Ltd.  
Telephone: 021-58461859 15821823057
Website: http://www.aivichem.com
Tags:52787-19-6 Related Product Information
68432-92-8 34956-29-1 320730-08-3 153599-45-2 22744-12-3 113496-14-3