Methyl 4-(propylcarbamoyl)benzoate

Base Information

Chemical Name:Methyl 4-(propylcarbamoyl)benzoate
CAS No.:216162-45-7
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:2924299090
ChEMBL ID:CHEMBL4569422
DSSTox Substance ID:DTXSID30589373
Wikidata:Q82482705
Mol file:216162-45-7.mol

Synonyms:Methyl 4-(propylcarbamoyl)benzoate;216162-45-7;CHEMBL4569422;SCHEMBL13753144;DTXSID30589373;Methyl4-(propylcarbamoyl)benzoate;MFCD09418578;AKOS003522773;MCULE-2671165684;NCGC00332494-01;BS-24985;CS-0208268;AB01326076-02;Z33030809

Suppliers and Price of Methyl 4-(propylcarbamoyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl4-(Propylcarbamoyl)benzoate
500mg
$ 65.00

Total 2 raw suppliers

Chemical Property of Methyl 4-(propylcarbamoyl)benzoate

Chemical Property:

PSA：55.40000
LogP:2.00390
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:245

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-(Propylcarbamoyl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCNC(=O)C1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-(propylcarbamoyl)benzoate

There total 2 articles about Methyl 4-(propylcarbamoyl)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: 93.0%

: 107-10-8,42939-71-9
propylamine

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

: 216162-45-7
4-(propylamino-1-carbonyl)benzoic acid methyl ester

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield:

: 107-10-8,42939-71-9
propylamine

: 1679-64-7
Monomethyl terephthalate

: 216162-45-7
4-(propylamino-1-carbonyl)benzoic acid methyl ester

Guidance literature:: Monomethyl terephthalate; With thionyl chloride; In dichloromethane; at 0 ℃; for 1h;

propylamine; With triethylamine; In dichloromethane; at 0 ℃; for 4h;
DOI:10.1021/ol5034223