2-Chloro-5-pyrrol-1-yl-benzoic acid

Base Information

Chemical Name:2-Chloro-5-pyrrol-1-yl-benzoic acid
CAS No.:53242-68-5
Molecular Formula:C11H8ClNO2
Molecular Weight:221.643
Hs Code.:2933990090
European Community (EC) Number:861-748-9
Nikkaji Number:J1.527.716E
ChEMBL ID:CHEMBL405828
Mol file:53242-68-5.mol

Synonyms:2-Chloro-5-pyrrol-1-yl-benzoic acid;53242-68-5;2-chloro-5-(1H-pyrrol-1-yl)benzoic acid;NB-64;2-chloro-5-pyrrol-1-ylbenzoic acid;MFCD03036852;Cambridge id 6500658;Benzoic acid, 2-chloro-5-(1H-pyrrol-1-yl)-;Oprea1_183081;Oprea1_826765;CHEMBL405828;SCHEMBL1785215;HPAOLHCBQKYITR-UHFFFAOYSA-N;STK192188;N-(3-Carboxy-4-chloro)phenylpyrrole;AKOS000300491;RS-0342;SB63369;2-chloro-5-(1H-pyrrol-1-yl)benzoicacid;EN300-186492;2-chloro-5-pyrrol-1-yl-benzoic acid, AldrichCPR;SR-01000323433;SR-01000323433-1;Z594281212;UOR

Suppliers and Price of 2-Chloro-5-pyrrol-1-yl-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
2-chloro-5-(1H-pyrrol-1-yl)benzoicAcid
50mg
$ 130.00

TRC
2-chloro-5-(1H-pyrrol-1-yl)benzoicAcid
10mg
$ 60.00

Matrix Scientific
2-Chloro-5-pyrrol-1-yl-benzoic acid
1g
$ 378.00

Crysdot
2-Chloro-5-(1H-pyrrol-1-yl)benzoicacid 97%
5g
$ 701.00

American Custom Chemicals Corporation
2-CHLORO-5-PYRROL-1-YL-BENZOIC ACID 95.00%
500MG
$ 772.70

Total 4 raw suppliers

Chemical Property of 2-Chloro-5-pyrrol-1-yl-benzoic acid

Chemical Property:

PSA：42.23000
LogP:2.82890
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:221.0243562
Heavy Atom Count:15
Complexity:241

Purity/Quality:

98%min ^*data from raw suppliers

2-chloro-5-(1H-pyrrol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C=C1)C2=CC(=C(C=C2)Cl)C(=O)O

Technology Process of 2-Chloro-5-pyrrol-1-yl-benzoic acid

There total 5 articles about 2-Chloro-5-pyrrol-1-yl-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: 82.0%

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 53242-68-5
2-chloro-5-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: With tin(II) chloride dihdyrate; In water; at 55 ℃; for 2.5h; Green chemistry;

Reference yield: 82.0%

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 89-54-3
2-chloro-5-aminobenzoic acid

: 53242-68-5
2-chloro-5-(1H-pyrrol-1-yl)benzoic acid

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

Reference yield: 67.0%

: 5044-38-2
1-(4-chlorophenyl)-1H-pyrrole

: 124-38-9,18923-20-1
carbon dioxide

: 53242-68-5
2-chloro-5-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: 1-(4-chlorophenyl)-1H-pyrrole; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -75 ℃; for 1h;

carbon dioxide; In tetrahydrofuran; diethyl ether; at 20 ℃; Further stages.;
DOI:10.1039/b100008j