2-((1H-Pyrrol-1-yl)methyl)benzoic acid

Base Information

Chemical Name:2-((1H-Pyrrol-1-yl)methyl)benzoic acid
CAS No.:73217-14-8
Molecular Formula:C12H11NO2
Molecular Weight:201.225
Hs Code.:
DSSTox Substance ID:DTXSID60503340
Wikidata:Q82357070

Synonyms:73217-14-8;2-((1H-Pyrrol-1-yl)methyl)benzoic acid;2-[(1H-Pyrrol-1-yl)methyl]benzoic acid;DTXSID60503340

Suppliers and Price of 2-((1H-Pyrrol-1-yl)methyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-((1H-Pyrrol-1-yl)methyl)benzoic acid

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:201.078978594
Heavy Atom Count:15
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CN2C=CC=C2)C(=O)O

Technology Process of 2-((1H-Pyrrol-1-yl)methyl)benzoic acid

There total 2 articles about 2-((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: 79.0%

: 139308-35-3
methyl 2-(1-pyrrolylmethyl)benzoate

: 73217-14-8
2-(1-pyrrolylmethyl)benzoic acid

Guidance literature:: With potassium hydroxide; In methanol; water; for 2h; Heating;

Reference yield:

: 2417-73-4
methyl 2-bromomethylbenzoate

: 73217-14-8
2-(1-pyrrolylmethyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / tetrahydrofuran / 4 h / Heating

2: 79 percent / KOH / methanol; H₂O / 2 h / Heating

With potassium hydroxide; In tetrahydrofuran; methanol; water;

Reference yield:

: 73217-14-8
2-(1-pyrrolylmethyl)benzoic acid

: 139308-30-8
2-Pyrrol-1-ylmethyl-benzoyl azide

Guidance literature:: With sodium azide; chloroformic acid ethyl ester; triethylamine; Yield given. Multistep reaction; 1.) acetone, 0 deg C, 15 min, 2.) acetone, H₂O, 0 deg C, 30 min;