1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-

Base Information

Chemical Name:1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-
CAS No.:64288-46-6
Molecular Formula:C₁₃H₁₂N₂
Molecular Weight:196.252
Hs Code.:
DSSTox Substance ID:DTXSID50368001
Wikidata:Q82154266

Synonyms:2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile;64288-46-6;1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-;DTXSID50368001;AKOS001854809;CCG-139859;CS-0118128

Suppliers and Price of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-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

American Custom Chemicals Corporation
2,5-DIMETHYL-1-PHENYLPYRROLE-3-CARBONITRILE 95.00%
5MG
$ 500.02

Total 0 raw suppliers

Chemical Property of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-

Chemical Property:

PSA：28.72000
LogP:2.96578
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:196.100048391
Heavy Atom Count:15
Complexity:259

Purity/Quality:: 2,5-DIMETHYL-1-PHENYLPYRROLE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(N1C2=CC=CC=C2)C)C#N

Technology Process of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-

There total 1 articles about 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-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: 40.0%

: 83-18-1
2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde

: 64288-46-6
2,5-dimethyl-1-phenylpyrrole-3-carbonitrile

Guidance literature:: With formic acid; hydroxylamine hydrochloride; for 0.5h; Heating;
DOI:10.1002/jhet.5570290605

Reference yield:

: 64288-46-6
2,5-dimethyl-1-phenylpyrrole-3-carbonitrile

: 791033-71-1
2,5-dimethyl-1-phenylpyrrole-3-carboxamidine

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / dioxane / 16 h / Ambient temperature

2: NH₃ / methanol / 48 h / Ambient temperature

With hydrogenchloride; ammonia; In 1,4-dioxane; methanol;
DOI:10.1002/jhet.5570290605