3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid

Base Information

Chemical Name:3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid
CAS No.:651045-05-5
Molecular Formula:C13H13NO3
Molecular Weight:231.251
Hs Code.:
DSSTox Substance ID:DTXSID90474478
Wikidata:Q82304513

Synonyms:3-methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid;651045-05-5;SCHEMBL5097101;DTXSID90474478;UOEALFQVRWOEER-UHFFFAOYSA-N;4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methylbenzoic acid

Suppliers and Price of 3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)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
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price

Total 1 raw suppliers

Chemical Property of 3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:231.08954328
Heavy Atom Count:17
Complexity:343

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)O)C(=O)N2CC=CC2

Technology Process of 3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid

There total 1 articles about 3-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)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: 64.0%

: 651045-04-4
4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzonitrile

: 651045-05-5
4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzoic acid

Guidance literature:: 4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzonitrile; With sodium hydroxide; In ethanol; water; at 80 ℃; for 0.5h;

With hydrogenchloride; In water;

Reference yield: 96.0%

: 185949-58-0
rac.-1-(5-chloro-benzoimidazol-2-yl)-ethylamine

: 651045-05-5
4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzoic acid

: rac.-N-[1-(5-chloro-1H-benzoimidazol-2-yl)-ethyl]-3-methyl-4-(2,5-dihydro-pyrrole-1-carbonyl)benzamide

Guidance literature:: 4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzoic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

rac.-1-(5-chloro-benzoimidazol-2-yl)-ethylamine; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

: 713139-54-9
(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)methanamine

: 651045-05-5
4-(2,5-dihydro-pyrrol-1-yl-carbonyl)-3-methyl-benzoic acid

: N-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl-methyl)-3-methyl-4-(2,5-dihydro-pyrrole-1-carbonyl)-benzamide

Guidance literature:: With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;