3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
• CAS No.: 75391-17-2
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.252
• European Community (EC) Number: 832-911-1
• ChEMBL ID: CHEMBL1567656
• Mol file: 75391-17-2.mol

Synonyms:3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid;75391-17-2;3-phenyl-3-pyrrol-1-ylpropanoic acid;MFCD03768199;MLS000085988;SCHEMBL9575031;CHEMBL1567656;GLJWRQSFZOJOLE-UHFFFAOYSA-N;HMS2331K07;BBL030091;STK681106;AKOS000144492;AKOS016347419;SMR000021317;VS-09602;3-phenyl-3-(1H-pyrrol-1-yl)propanoicacid;CS-0237749;Propionic acid, 3-phenyl-3-(pyrrol-1-yl)-;EN300-186725;SR-01000091682;SR-01000091682-1;Z245326726

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

Chemical Property:

• Melting Point: 120 °C
• PSA: 42.23000
• LogP: 2.55220
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

3-phenyl-3-(1H-pyrrol-1-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 6 articles about 3-phenyl-3-(1H-pyrrol-1-yl)propanoic 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: 80.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 3-Amino-3-phenylpropionic acid (3646-50-2) → 3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid (75391-17-2)

Guidance literature:

With acetic acid; at 60 ℃; for 1.5h;

DOI:10.1016/j.ejmech.2016.03.023

Reference yield: 55.0%

3-Phenyl-3-N-pyrrolylpropionsaeurenitril (75391-18-3) → 3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid (75391-17-2)

Guidance literature:

With sodium hydroxide; In methanol; water; for 6h; Heating;

Reference yield: 18.0%

2-Phenyl-2-N-pyrrolyl-ethan-1,1-dicarbonsaeure (75391-16-1) → 3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid (75391-17-2)

Guidance literature:

at 160 ℃;

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

3-Amino-3-phenylpropionic acid

3-Phenyl-3-N-pyrrolylpropionsaeurenitril

2-Phenyl-2-N-pyrrolyl-ethan-1,1-dicarbonsaeure

Downstream raw materials:

C₁₆H₁₇NO₄

2-ethoxycarbonyl-4-phenyl-1,2,3,4-tetrahydropyrrolo<1,2-a>pyrazin-1-one

Refernces

• 1、 Guillon,Boulouard,Lelong,Dallemagne,Rault,Jarry. "Synthesis and preliminary behavioural evaluation in mice of new 3-aryl-3-pyrrol-1-ylpropanamides, analogues of FGIN-1-27 and FGIN-1-43". . p. 1561 - 1568. Retrieved 2007/10/03.
• 2、 Tembo, Olivier Norbert,Dallemagne, Patrick,Rault, Sylvain,Robba, Max. "An Efficient Synthesis of New Phenylpyrrolizine and Phenylpyrrolopyrazine Derivatives". . p. 2129 - 2138. Retrieved 2007/10/02.