4-Acetyl-1h-pyrrole-2-carbonitrile

Base Information

Chemical Name:4-Acetyl-1h-pyrrole-2-carbonitrile
CAS No.:16168-91-5
Molecular Formula:C7H6 N2 O
Molecular Weight:134.13534
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10497205
Wikidata:Q82346625
Mol file:16168-91-5.mol

Synonyms:4-acetyl-1h-pyrrole-2-carbonitrile;16168-91-5;Pyrrole-2-carbonitrile, 4-acetyl- (8CI);1H-Pyrrole-2-carbonitrile, 4-acetyl-;SCHEMBL1075072;DTXSID10497205;AKOS006353407;A1-01577

Suppliers and Price of 4-Acetyl-1h-pyrrole-2-carbonitrile

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

AccelPharmtech
4-acetyl-1H-Pyrrole-2-carbonitrile 97.00%
25G
$ 4010.00

AccelPharmtech
4-acetyl-1H-Pyrrole-2-carbonitrile 97.00%
5G
$ 2180.00

AccelPharmtech
4-acetyl-1H-Pyrrole-2-carbonitrile 97.00%
1G
$ 1940.00

Total 2 raw suppliers

Chemical Property of 4-Acetyl-1h-pyrrole-2-carbonitrile

Chemical Property:

PSA：56.65000
LogP:1.08898
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:134.048012819
Heavy Atom Count:10
Complexity:191

Purity/Quality:

99% ^*data from raw suppliers

4-acetyl-1H-Pyrrole-2-carbonitrile 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CNC(=C1)C#N

Technology Process of 4-Acetyl-1h-pyrrole-2-carbonitrile

There total 2 articles about 4-Acetyl-1h-pyrrole-2-carbonitrile 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: 90.0%

: 4513-94-4
1H-pyrrole-2-carbonitrile

: 75-36-5
acetyl chloride

: 16168-91-5
4-acetyl-1H-pyrrole-2-carbonitrile

Guidance literature:: With aluminium trichloride; In nitromethane; dichloromethane; cooling;
DOI:10.1021/ja070254l

Reference yield:

: 16168-91-5
4-acetyl-1H-pyrrole-2-carbonitrile

Guidance literature:: 2-Cyan-pyrrol, CS2, Acetanhydrid, AlCl3;
DOI:10.1139/v67-153

Reference yield: 76.0%

: 1308286-01-2
tert-butyl (1-(4-chlorophenyl)-2-methylene-3-oxobutyl) carbonate

: 16168-91-5
4-acetyl-1H-pyrrole-2-carbonitrile

: 1359183-59-7
(R)-4-acetyl-1-(1-(4-chlorophenyl)-2-methylene-3-oxobutyl)-1H-pyrrole-2-carbonitrile

Guidance literature:: With hydroquinindine-2,5-diphenyl-4,6-pyrimidinediyl diether; In tetrahydrofuran; at 0 ℃; for 100h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1039/c1ob06671d