3-(Dimethylcarbamoyl)benzoic acid

Base Information

Chemical Name:3-(Dimethylcarbamoyl)benzoic acid
CAS No.:858981-15-4
Molecular Formula:C10H11NO3
Molecular Weight:193.202
Hs Code.:
European Community (EC) Number:830-842-1
DSSTox Substance ID:DTXSID001346425
Nikkaji Number:J2.881.636G
Mol file:858981-15-4.mol

Synonyms:3-(dimethylcarbamoyl)benzoic acid;858981-15-4;MFCD12173495;Benzoic acid, 3-[(dimethylamino)carbonyl]-;SCHEMBL1255459;3-(dimethylcarbamoyl)benzoicacid;WBZUWTTYEQKRHF-UHFFFAOYSA-N;DTXSID001346425;3-(N,N-dimethylcarbamoyl)benzoic acid;AKOS008132005;BS-13970;SY123585;DB-356525;CS-0038796;EN300-68424;Z425332788

Suppliers and Price of 3-(Dimethylcarbamoyl)benzoic acid

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
3-(Dimethylcarbamoyl)benzoicAcid
10mg
$ 175.00

TRC
3-(Dimethylcarbamoyl)benzoicAcid
100mg
$ 1400.00

TRC
3-(Dimethylcarbamoyl)benzoicAcid
50mg
$ 795.00

Alichem
3-(Dimethylcarbamoyl)benzoicacid
5g
$ 724.20

Alichem
3-(Dimethylcarbamoyl)benzoicacid
1g
$ 239.37

AK Scientific
3-(dimethylcarbamoyl)benzoicacid
100mg
$ 132.80

AK Scientific
3-(dimethylcarbamoyl)benzoicacid
1g
$ 323.60

Total 2 raw suppliers

Chemical Property of 3-(Dimethylcarbamoyl)benzoic acid

Chemical Property:

PSA：57.61000
LogP:1.08660
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:193.07389321
Heavy Atom Count:14
Complexity:238

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylcarbamoyl)benzoicAcid ^*data from reagent 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)O
Uses 3-(Dimethylcarbamoyl)benzoic Acid is used in preparation of Sulfonamide derivatives as Orexin receptor agonists.

Technology Process of 3-(Dimethylcarbamoyl)benzoic acid

There total 3 articles about 3-(Dimethylcarbamoyl)benzoic acid 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%

: 69383-71-7
N,N-dimethylisophthalamic acid methyl ester

: 858981-15-4
3-(dimethylcarbamoyl)benzoic acid

Guidance literature:: With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 21h;
DOI:10.1021/acs.jmedchem.5b00114

Reference yield:

: 1877-71-0
benzene 1,3-dicarboxylic acid monomethyl ester

: 858981-15-4
3-(dimethylcarbamoyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / 150 °C

2: water; lithium hydroxide / methanol; tetrahydrofuran / 21 h / 20 °C

With thionyl chloride; water; lithium hydroxide; In tetrahydrofuran; methanol;
DOI:10.1021/acs.jmedchem.5b00114