phenyl(1H-pyrrol-1-yl)acetic acid

Base Information

• Chemical Name: phenyl(1H-pyrrol-1-yl)acetic acid
• CAS No.: 105264-23-1
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50372426,DTXSID80876725
• Mol file: 105264-23-1.mol

Synonyms:105264-23-1;phenyl(1H-pyrrol-1-yl)acetic acid;2-phenyl-2-(1H-pyrrol-1-yl)acetic acid;2-phenyl-2-pyrrol-1-ylacetic acid;MFCD01313326;1H-Pyrrole-1-acetic acid, alpha-phenyl-;Maybridge1_008023;HMS564E15;2-Phenyl-2-(1H-pyrrol-1-yl)aceticacid;Oprea1_369571;SCHEMBL10841420;DTXSID50372426;DTXSID80876725;CHEBI:195089;FNRJAIIHCKGTCV-UHFFFAOYSA-N;alpha-(N-pyrrolyl)-phenylacetic acid;BBL021620;CCG-47501;STK894334;2-Phenyl-2-(1-pyrrolyl)acetic acid;AKOS000149359;AKOS016844218;SB62434;VS-07138;CS-0207231;FT-0722118;EN300-302531;Phenyl(1H-pyrrol-1-yl)acetic acid, AldrichCPR;SR-01000637109-1;BRD-A46451830-001-01-2;F2185-0536;Z245326664

Chemical Property of phenyl(1H-pyrrol-1-yl)acetic acid

Chemical Property:

• Melting Point: 120 - 121 °C
• PSA: 42.23000
• LogP: 2.16210
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Phenyl(1H-pyrrol-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)N2C=CC=C2

Technology Process of phenyl(1H-pyrrol-1-yl)acetic acid

There total 3 articles about phenyl(1H-pyrrol-1-yl)acetic 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: 18.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + (R)-phenylglycine (875-74-1) → 2-phenyl-2-(1H-pyrrol-1-yl)acetic acid (88798-24-7,88850-08-2,105264-23-1)

Guidance literature:

In acetic acid; for 0.5h; Ambient temperature;

DOI:10.1071/C96189

Reference yield:

→ 2-phenyl-2-(1H-pyrrol-1-yl)acetic acid (88798-24-7,88850-08-2,105264-23-1)

Guidance literature:

Reference yield:

→ base yohimbine + 2-phenyl-2-(1H-pyrrol-1-yl)acetic acid (88798-24-7,88850-08-2,105264-23-1)

Guidance literature:

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

(R)-phenylglycine

Refernces

• 1、 -. "Process for the preparation of alpha-(N-pyrrolyl)-derivative acids, the salts and esters thereof; alpha-(N-pyrrolyl)-phenylacetic acids, the esters thereof, pharmaceutical compositions containing them and therapeutical applications thereof". . . Retrieved 2008/06/13.