2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

Base Information

Chemical Name:2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile
CAS No.:86604-36-6
Molecular Formula:C11H7ClN2S
Molecular Weight:234.709
Hs Code.:
ChEMBL ID:CHEMBL2022628
DSSTox Substance ID:DTXSID40576759
Nikkaji Number:J2.168.186E
Wikidata:Q82466617
Mol file:86604-36-6.mol

Synonyms:2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile;86604-36-6;3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-;MFCD02854970;C11H7ClN2S;SCHEMBL4259769;CHEMBL2022628;DTXSID40576759;AKOS000369049;AS-69087;W11504

Suppliers and Price of 2-Amino-4-(4-chlorophenyl)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

Crysdot
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+%
1g
$ 807.00

Crysdot
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+%
250mg
$ 323.00

Crysdot
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+%
25g
$ 6548.00

Crysdot
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+%
10g
$ 3637.00

Crysdot
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+%
5g
$ 2425.00

Arctom
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile ≥95%
1g
$ 855.00

Total 4 raw suppliers

Chemical Property of 2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

Chemical Property:

Melting Point:164 °C(Solv: dichloromethane (75-09-2); ethyl acetate (141-78-6))
Boiling Point:423.4±45.0 °C(Predicted)
PKA:-0.70±0.10(Predicted)
PSA：78.05000
Density:1.42±0.1 g/cm3(Predicted)
LogP:4.10358
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.0018471
Heavy Atom Count:15
Complexity:267

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CSC(=C2C#N)N)Cl

Technology Process of 2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

There total 3 articles about 2-Amino-4-(4-chlorophenyl)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: 88.2%

: 99-91-2
para-chloroacetophenone

: 109-77-3
malononitrile

: 86604-36-6
2-amino-4-(4-chlorophenyl)-3-thiophenecarbonitrile

Guidance literature:: With piperidine; sulfur; In methanol; at 30 ℃; for 1h;

Reference yield:

: 3111-60-2
2-[1-(4-chlorophenyl)ethylidene]malononitrile

: 86604-36-6
2-amino-4-(4-chlorophenyl)-3-thiophenecarbonitrile

Guidance literature:: With morpholine; sulfur; In N,N-dimethyl-formamide; at 20 - 120 ℃; for 0.166667h;
DOI:10.1002/jhet.5570450333

Reference yield:

: 99-91-2
para-chloroacetophenone

: 86604-36-6
2-amino-4-(4-chlorophenyl)-3-thiophenecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium acetate / toluene / 105 °C

2: sulfur; sodium hydrogencarbonate / tetrahydrofuran; water / 1.58 h / 35 °C

With ammonium acetate; sodium hydrogencarbonate; sulfur; In tetrahydrofuran; water; toluene; 1: |Knoevenagel Condensation;
DOI:10.1002/jhet.897