2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

Base Information

Chemical Name:2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile
CAS No.:605661-11-8
Molecular Formula:C12H9 N3 O2 S
Molecular Weight:259.288
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50469385
Wikidata:Q82297072
Mol file:605661-11-8.mol

Synonyms:605661-11-8;2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile;2-Amino-5-methyl-4-(4-nitro-phenyl)-thiophene-3-carbonitrile;3-Thiophenecarbonitrile,2-amino-5-methyl-4-(4-nitrophenyl)-;SCHEMBL4473918;DTXSID50469385;AB43903;A849592

Suppliers and Price of 2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-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

American Custom Chemicals Corporation
2-AMINO-5-METHYL-4-(4-NITROPHENYL)THIOPHENE-3-CARBONITRILE 95.00%
5MG
$ 495.34

Total 6 raw suppliers

Chemical Property of 2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

Chemical Property:

PSA：123.87000
LogP:4.18998
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:259.04154771
Heavy Atom Count:18
Complexity:367

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-5-METHYL-4-(4-NITROPHENYL)THIOPHENE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(S1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

There total 4 articles about 2-Amino-5-methyl-4-(4-nitrophenyl)thiophene-3-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: 89.0%

: 605661-10-7
2-[1-(4-nitrophenyl)propylidene]malononitrile

: 605661-11-8
2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

Guidance literature:: With sulfur; diethylamine; In ethanol; at 70 ℃; for 2h;

Reference yield:

: 605661-10-7
2-[1-(4-nitrophenyl)propylidene]malononitrile

: 109-89-7
diethylamine

: 605661-11-8
2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

Guidance literature:: With hydrogen sulfide; In ethanol;

Reference yield:

: 3758-70-1
1-(4-nitrophenyl)propan-1-one

: 605661-11-8
2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / NH₄OAc; AcOH / benzene / 18 h / Heating

2: 85 percent / Et₂NH; sulfur / ethanol / 1.5 h / 70 °C

With ammonium acetate; sulfur; acetic acid; diethylamine; In ethanol; benzene; 1: Knoevenagel condensation / 2: Gewald reaction;
DOI:10.1021/jm050458h