1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-
• CAS No.: 406728-86-7
• Molecular Formula: C₁₂H₁₀FNO₂
• Molecular Weight: 219.215
• European Community (EC) Number: 831-812-0

Synonyms:406728-86-7;1-(4-Fluorobenzyl)-1H-pyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-;1-[(4-FLUOROPHENYL)METHYL]PYRROLE-2-CARBOXYLIC ACID;SCHEMBL1606703;1-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxylic acid;PDFAKAUXPIKVFC-UHFFFAOYSA-N;MFCD12181402;AKOS000265037;CCG-138937;DB-131857;1-(4-Fluorobenzyl)-pyrrole-2-carboxylic acid

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.06955672
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C(=C1)C(=O)O)CC2=CC=C(C=C2)F

Technology Process of 1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-

There total 2 articles about 1H-Pyrrole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]- 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: 88.0%

methyl 1-(4-fluorobenzyl)-1H-pyrrole-2-carboxylate (1256291-05-0) → 1-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxylic acid (406728-86-7)

Guidance literature:

methyl 1-(4-fluorobenzyl)-1H-pyrrole-2-carboxylate; With sodium hydroxide; In methanol; water; for 3h; Reflux;

With hydrogenchloride; In water;

DOI:10.1021/jm1010594

Reference yield: 33.0%

→ 1-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxylic acid (406728-86-7)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 48h;

Reference yield: 7.0%

1-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxylic acid (406728-86-7) + bis(diphenylmethyl) L-tartrate (85488-41-1) → bis(diphenylmethyl) 2-(N-(p-fluorobenzyl)-2-pyrroloyl)-L-tartrate (1256291-07-2) + bis(diphenylmethyl) 2,3-bis(N-(p-fluorobenzyl)-2-pyrroloyl)-L-tartrate

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/jm1010594

upstream raw materials:

methyl 1-(4-fluorobenzyl)-1H-pyrrole-2-carboxylate

Downstream raw materials:

bis(diphenylmethyl) 2-(N-(p-fluorobenzyl)-2-pyrroloyl)-L-tartrate

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