Methyl 4-(phenylcarbamoyl)benzoate

Base Information

• Chemical Name: Methyl 4-(phenylcarbamoyl)benzoate
• CAS No.: 3814-10-6
• Molecular Formula: C15H13NO3
• Molecular Weight: 255.273
• Hs Code.: 2924299090
• European Community (EC) Number: 662-112-1
• DSSTox Substance ID: DTXSID30405509
• Nikkaji Number: J590.250I
• Wikidata: Q72494726
• Mol file: 3814-10-6.mol

Synonyms:methyl 4-(phenylcarbamoyl)benzoate;3814-10-6;Methyl 4-(N-phenylcaramoyl)benzoate;Methyl 4-anilinocarbonylbenzoate;methyl 4-(anilinocarbonyl)benzoate;Benzoic acid, 4-[(phenylamino)carbonyl]-, methyl ester;SCHEMBL2835923;methyl4-(phenylcarbamoyl)benzoate;DTXSID30405509;XTAGEOVGQDJRIC-UHFFFAOYSA-N;MFCD00157832;Methyl 4-(N-phenylcaramoyl)benzoate;Methyl 4-(N-Phenylcarbomoyl)benzoate;AKOS001302678;CS-W012576;AC-24893;DS-10481;4-(Phenylcarbamoyl)benzoic Acid Methyl Ester;A6471;FT-0751898;M2637;4-(phenyl-carbamoyl)-benzoic acid methyl ester;Z27781244

Chemical Property of Methyl 4-(phenylcarbamoyl)benzoate

Chemical Property:

• Melting Point: 193℃
• PSA: 55.40000
• Density: 1.237
• LogP: 2.79850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-(N-Phenylcaramoyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

Technology Process of Methyl 4-(phenylcarbamoyl)benzoate

There total 20 articles about Methyl 4-(phenylcarbamoyl)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: 97.0%

Monomethyl terephthalate (1679-64-7) + aniline (62-53-3) → N-phenyl-p-carbomethoxybenzamide (3814-10-6)

Guidance literature:

With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1039/c9ob00699k

Reference yield: 91.0%

4-Methoxycarbonylbenzoyl chloride (7377-26-6) + aniline (62-53-3) → N-phenyl-p-carbomethoxybenzamide (3814-10-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00263

Reference yield: 91.0%

4-methoxycarbonylbenzoic acid phenyl ester (6725-72-0) + aniline (62-53-3) → N-phenyl-p-carbomethoxybenzamide (3814-10-6)

Guidance literature:

With allylchloro-[1,3-bis(diisopropylphenyl)-imidazole-2-ylidene]palladium(II); water; potassium carbonate; In toluene; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acscatal.7b00245

upstream raw materials:

methanol

Terephthalsaeureanilidchlorid

Methyl 4-chlorobenzoate

carbon monoxide

Downstream raw materials:

terephthaloyl chloride

4-Methoxycarbonylbenzoyl chloride

C₁₄H₁₂N₂O₃

2-(4-methoxycarbonylphenyl)-1,3-benzoxazole

Refernces

• 1、 Tang, Jing-Jing,Yu, Xiaoqiang,Yamamoto, Yoshinori,Bao, Ming. "Visible-Light-Promoted Iron-Catalyzed N-Arylation of Dioxazolones with Arylboronic Acids". . p. 13955 - 13961. Retrieved 2021/11/20.
• 2、 Cao, Fangyuan,Zwinderman, Martijn R.H.,van Merkerk, Ronald,Ettema, Petra E.,Quax, Wim J.,Dekker, Frank J.. "Inhibitory selectivity among class I HDACs has a major impact on inflammatory gene expression in macrophages". . p. 457 - 466. Retrieved 2019/06/11.