METHYL3-(AMINOCARBONYL)BENZOATE

Base Information

• Chemical Name: METHYL3-(AMINOCARBONYL)BENZOATE
• CAS No.: 106748-24-7
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• Hs Code.: 2924299090
• Mol file: 106748-24-7.mol

Synonyms:3-Carbamoylbenzoicacid methyl ester;

Chemical Property of METHYL3-(AMINOCARBONYL)BENZOATE

Chemical Property:

• Vapor Pressure: 0.00036mmHg at 25°C
• Melting Point: 147～150℃
• Refractive Index: 1.556
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 15.41±0.50(Predicted)
• Flash Point: 167.4 °C
• PSA: 69.39000
• Density: 1.226 g/cm³
• LogP: 1.27240
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-carbamoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL3-(AMINOCARBONYL)BENZOATE

There total 7 articles about METHYL3-(AMINOCARBONYL)BENZOATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

methyl 3-cyanobenzoate (13531-48-1) → methyl 3-carbamoylbenzoate (106748-24-7)

Guidance literature:

With cobalt(II) chloride hexahydrate; oxygen; ethylenediamine; zinc; In neat (no solvent); at 120 ℃; for 12h; under 3800.26 Torr; Autoclave;

DOI:10.1007/s11164-014-1589-6

Reference yield: 81.0%

carbon monoxide (201230-82-2) + methyl 3-iodo-benzoate (618-91-7) → methyl 3-carbamoylbenzoate (106748-24-7)

Guidance literature:

With triphenylphosphine; 1,1,1,3,3,3-hexamethyl-disilazane; palladium dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.1016/S0040-4039(98)00259-7

Reference yield: 72.0%

benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) → methyl 3-carbamoylbenzoate (106748-24-7)

Guidance literature:

With N-hydroxybenzotriazole ammonium salt; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2019.05.026

upstream raw materials:

3-(methoxycarbonyl)benzoyl chloride

carbon monoxide

methyl 3-iodo-benzoate

dimethyl sulfate

Downstream raw materials:

3-carboxybenzamide

methyl 3-cyanobenzoate

3-thiocarbamoyl-benzoic acid methyl ester

methyl 3-[(4-phenyl)thiazol-2-yl]benzoate

Refernces

• 1、 Bollenbach, Maud,Lugnier, Claire,Kremer, Mélanie,Salvat, Eric,Megat, Salim,Bihel, Frédéric,Bourguignon, Jean-Jacques,Barrot, Michel,Schmitt, Martine. "Design and synthesis of 3-aminophthalazine derivatives and structural analogues as PDE5 inhibitors: anti-allodynic effect against neuropathic pain in a mouse model". . p. 269 - 290. Retrieved 2019/06/05.
• 2、 Rombouts, Frederik,Franken, Dennis,Martínez-Lamenca, Carolina,Braeken, Mirielle,Zavattaro, Chiara,Chen, Jinsheng,Trabanco, Andrés A.. "Microwave-assisted N-debenzylation of amides with triflic acid". experimental part. p. 4815 - 4818. Retrieved 2010/10/02.