4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

Base Information

Chemical Name:4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
CAS No.:313701-95-0
Molecular Formula:C₁₄H₁₅NO₂
Molecular Weight:229.279
Hs Code.:
DSSTox Substance ID:DTXSID701223252
ChEMBL ID:CHEMBL408994
Mol file:313701-95-0.mol

Synonyms:4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid;313701-95-0;4-(2,5-Dimethyl-pyrrol-1-ylmethyl)-benzoic acid;4-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid;MLS000071163;SMR000036683;N-(4-carboxybenzyl)-2,5-dimethylpyrrole;CBMicro_048002;Cambridge id 5957378;Oprea1_303837;CHEMBL408994;cid_659752;SCHEMBL13856724;BDBM40590;DTXSID701223252;HMS1610K01;HMS2448H09;KUC109998N;BBL016441;MFCD01860277;STK197419;AKOS000100933;KSC-213-83C-1;RS-0350;NCGC00018590-01;NCGC00018590-02;N-(4-Carboxy)benzyl-2,5-dimethylpyrrole;BIM-0048143.P001;CS-0118710;4-(2,5-dimethylpyrrol-1-ylmethyl)benzoic acid;MLS-0001070.0001;AB00101636-01;4-[(2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid;A903981;AM-879/25023002;SR-01000000558;SR-01000000558-2;4-(2,5-Dimethyl-pyrrol-1-ylmethyl)-benzoic acid, AldrichCPR

Suppliers and Price of 4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]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
4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoicAcid
10mg
$ 65.00

Matrix Scientific
4-(2,5-Dimethyl-pyrrol-1-ylmethyl)-benzoic acid
1g
$ 400.00

Crysdot
4-((2,5-Dimethyl-1H-pyrrol-1-yl)methyl)benzoicacid 97%
5g
$ 874.00

Chemenu
4-[(2,5-Dimethyl-1h-pyrrol-1-yl)methyl]benzoicacid 95%+
10mg
$ 191.00

Total 4 raw suppliers

Chemical Property of 4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:229.110278721
Heavy Atom Count:17
Complexity:261

Purity/Quality:

97% ^*data from raw suppliers

4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,Xn
Statements: 22

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(N1CC2=CC=C(C=C2)C(=O)O)C

Technology Process of 4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

There total 1 articles about 4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]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: 77.0%

: 56-91-7
p-aminomethylbenzoic acid

: 110-13-4
2,5-hexanedione

: 313701-95-0
N-(4-carboxybenzyl)-2,5-dimethylpyrrole

Guidance literature:: With acetic acid; at 150 ℃; for 0.166667h; Microwave irradiation;
DOI:10.1021/jm800869t

Reference yield:

: 313701-95-0
N-(4-carboxybenzyl)-2,5-dimethylpyrrole

: 139200-39-8
C₅H₉NO₂*C₂HF₃O₂

: C₁₉H₂₂N₂O₃

Guidance literature:: With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23 ℃; for 16h;
DOI:10.1021/jm500345q