Methyl 3-(dimethylcarbamoyl)benzoate

Base Information

• Chemical Name: Methyl 3-(dimethylcarbamoyl)benzoate
• CAS No.: 69383-71-7
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• DSSTox Substance ID: DTXSID50510462
• Wikidata: Q82368768
• Mol file: 69383-71-7.mol

Synonyms:METHYL 3-(DIMETHYLCARBAMOYL)BENZOATE;69383-71-7;Methyl 3-(N,N-dimethylcarbamoyl)benzoate;SCHEMBL1256255;DTXSID50510462;KSHGKHGTHNEELS-UHFFFAOYSA-N;AKOS027368316;SB76825;BS-29390;METHYL3-(DIMETHYLCARBAMOYL)BENZOATE;A856818;Z461899704;3-(N,N-Dimethylamino carbonyl)benzoic acid, methyl ester

Chemical Property of Methyl 3-(dimethylcarbamoyl)benzoate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC(=CC=C1)C(=O)OC

Technology Process of Methyl 3-(dimethylcarbamoyl)benzoate

There total 7 articles about Methyl 3-(dimethylcarbamoyl)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: 100.0%

dimethyl Isophthalate (1459-93-4) + dimethyl amine (124-40-3) → N,N-dimethylisophthalamic acid methyl ester (69383-71-7)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; at 20 ℃; for 2h;

Reference yield: 80.0%

benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) + N,N-dimethylammonium chloride (506-59-2) → N,N-dimethylisophthalamic acid methyl ester (69383-71-7)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 21h;

Reference yield: 60.0%

benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N,N-dimethylisophthalamic acid methyl ester (69383-71-7)

Guidance literature:

With thionyl chloride; at 150 ℃; for 4h;

DOI:10.1021/acs.jmedchem.5b00114

upstream raw materials:

benzene 1,3-dicarboxylic acid monomethyl ester

dimethyl amine

N,N-dimethylammonium chloride

dimethyl Isophthalate

Downstream raw materials:

3-(N,N-Dimethylaminomethyl)benzenemethanol

3-Hydroxymethyl-N,N-dimethylbenzamide

3-(dimethylcarbamoyl)benzoic acid

C₁₅H₂₄N₄O₂S