Pyrrole-2-acetic acid, 5-phenyl-

Base Information

Chemical Name:Pyrrole-2-acetic acid, 5-phenyl-
CAS No.:5449-90-1
Molecular Formula:C₁₂H₁₁NO₂
Molecular Weight:201.225
Hs Code.:2933990090
NSC Number:16451
UNII:EV6CAW13OP
DSSTox Substance ID:DTXSID90202894
Nikkaji Number:J87.064A
Wikidata:Q83076240
Mol file:5449-90-1.mol

Synonyms:5449-90-1;Pyrrole-2-acetic acid, 5-phenyl-;2-(5-phenyl-1H-pyrrol-2-yl)acetic acid;5-Phenyl-1H-pyrrole-2-acetic acid;EV6CAW13OP;NSC-16451;1h-pyrrole-2-acetic acid, 5-phenyl-;5-Phenyl-pyrrole-2-acetic acid;NSC 16451;BRN 0157785;NSC16451;UNII-EV6CAW13OP;4-22-00-01227 (Beilstein Handbook Reference);DTXSID90202894;AKOS023207854

Suppliers and Price of Pyrrole-2-acetic acid, 5-phenyl-

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

Total 6 raw suppliers

Chemical Property of Pyrrole-2-acetic acid, 5-phenyl-

Chemical Property:

Vapor Pressure:7.48E-08mmHg at 25°C
Melting Point:144-145 °C (decomp)
Boiling Point:421.4°Cat760mmHg
PKA:4.47±0.10(Predicted)
Flash Point:208.6°C
PSA：53.09000
Density:1.253g/cm³
LogP:2.30880
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:201.078978594
Heavy Atom Count:15
Complexity:224

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC=C(N2)CC(=O)O

Technology Process of Pyrrole-2-acetic acid, 5-phenyl-

There total 2 articles about Pyrrole-2-acetic acid, 5-phenyl- 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:

: 220446-69-5
ethyl (5-phenyl-1H-pyrrol-2-yl)acetate

: 5449-90-1
(5-phenyl-pyrrol-2-yl)-acetic acid

Guidance literature:: With potassium hydroxide;
DOI:10.1021/ja01238a021

Reference yield:

: 3042-22-6
2-phenyl-1H-pyrrole

: 5449-90-1
(5-phenyl-pyrrol-2-yl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: copper-powder / 125 °C / anschliessend Erhitzen mit Diazoessigsaeure-aethylester

2: aq.-ethanolic KOH

With potassium hydroxide; copper;
DOI:10.1021/ja01238a021