3-(1H-pyrrol-1-yl)benzoic acid

Base Information

Chemical Name:3-(1H-pyrrol-1-yl)benzoic acid
CAS No.:61471-45-2
Molecular Formula:C11H9NO2
Molecular Weight:187.198
Hs Code.:2933990090
European Community (EC) Number:629-985-0
ChEMBL ID:CHEMBL407222
Mol file:61471-45-2.mol

Synonyms:3-(1H-pyrrol-1-yl)benzoic acid;61471-45-2;3-Pyrrol-1-yl-benzoic acid;3-pyrrol-1-ylbenzoic acid;3-(1-pyrrolyl)benzoic acid;N-(3-Carboxy)phenylpyrrole;MFCD02656610;3-(1H-PYRROL-1-YL)BENZOICACID;Benzoic acid, 3-(1H-pyrrol-1-yl)-;Oprea1_201413;Oprea1_508575;SCHEMBL594234;CHEMBL407222;PODFNQCZFHLJPH-UHFFFAOYSA-N;HMS1683N11;AMY41599;Benzoicacid,3-(1H-pyrrol-1-yl)-;BBL009663;STK204987;AKOS000103631;PS-4299;SB62110;SDCCGMLS-0066033.P001;NCGC00184568-01;CS-0117149;FT-0613498;3-(1H-Pyrrol-1-yl)benzoic acid, AldrichCPR;EN300-13498;F13617;A833245;AN-698/40860033;J-510436;Z56616524

Suppliers and Price of 3-(1H-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
3-(1H-Pyrrol-1-yl)benzoicAcid
50mg
$ 45.00

SynQuest Laboratories
3-(1H-Pyrrol-1-yl)benzoic acid 97.0%
250 mg
$ 80.00

SynQuest Laboratories
3-(1H-Pyrrol-1-yl)benzoic acid 97.0%
1 g
$ 175.00

Matrix Scientific
3-Pyrrol-1-yl-benzoic acid
500mg
$ 168.00

Crysdot
3-(1H-Pyrrol-1-yl)benzoicacid 95+%
5g
$ 460.00

Crysdot
3-(1H-Pyrrol-1-yl)benzoicacid 95+%
10g
$ 690.00

Chemenu
3-Pyrrol-1-yl-benzoicacid 95%+
25g
$ 1125.00

Chemenu
3-Pyrrol-1-yl-benzoicacid 95%+
10g
$ 606.00

Chemenu
3-Pyrrol-1-yl-benzoicacid 95%+
5g
$ 316.00

ChemBridge Corporation
3-(1H-pyrrol-1-yl)benzoicacid 95%
1 g
$ 46.00

Total 22 raw suppliers

Chemical Property of 3-(1H-pyrrol-1-yl)benzoic acid

Chemical Property:

Vapor Pressure:2.43E-06mmHg at 25°C
Melting Point:180 °C
Boiling Point:376.6 °C at 760 mmHg
PKA:3.73±0.10(Predicted)
Flash Point:181.6 °C
PSA：42.23000
Density:1.18 g/cm³
LogP:2.17550
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Heavy Atom Count:14
Complexity:211

Purity/Quality:

99%, ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(1H-pyrrol-1-yl)benzoic acid

There total 3 articles about 3-(1H-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: 57.0%

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

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 61471-45-2
3-(1H-pyrrol-1-yl)benzoic acid

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

Reference yield:

: 83140-93-6,168618-25-5
methyl 3-(1H-pyrrol-1-yl)benzoate

: 61471-45-2
3-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 25 ℃; for 12h;

Reference yield:

: 4518-10-9
Methyl 3-aminobenzoate

: 61471-45-2
3-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid / 0.17 h / 170 °C

2: sodium hydroxide; water / methanol / 12 h / 25 °C

With water; acetic acid; sodium hydroxide; In methanol;