(2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

Base Information

Chemical Name:(2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CAS No.:61437-85-2
Molecular Formula:C15H12Cl2N2
Molecular Weight:291.18
Hs Code.:2926909090
DSSTox Substance ID:DTXSID60976999
Wikidata:Q72434515
Mol file:61437-85-2.mol

Synonyms:DTXSID60976999;AKOS015901162

Suppliers and Price of (2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

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

TRC
2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
2.5g
$ 1320.00

Crysdot
2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile 95+%
25g
$ 396.00

American Custom Chemicals Corporation
4-AMINO-2-CHLORO-ALPHA-(4-CHLOROPHENYL)-5-METHYLBENZENEACETONITRILE 95.00%
1G
$ 661.44

Alichem
2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
25g
$ 416.00

Total 53 raw suppliers

Chemical Property of (2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

Chemical Property:

Appearance/Colour:light beige powder
Vapor Pressure:2.07E-08mmHg at 25°C
Melting Point:148-153℃
Refractive Index:1.63
Boiling Point:453.4 °C at 760 mmHg
PKA:2.46±0.25(Predicted)
Flash Point:228 °C
PSA：49.81000
Density:1.312 g/cm³
LogP:5.12068
Storage Temp.:2-8°C
Water Solubility.:2.293mg/L at 25℃
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:290.0377538
Heavy Atom Count:19
Complexity:343

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R22:Harmful if swallowed.;
Hazard Codes: Xn:Harmful;
Statements: R22:Harmful if swallowed.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1N)Cl)C(C#N)C2=CC=C(C=C2)Cl
Isomeric SMILES:CC1=CC(=C(C=C1N)Cl)[C@@H](C#N)C2=CC=C(C=C2)Cl
Uses 2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile is an impurity of Closantel Sodium Salt (C587390) Dihydrate, a broad-spectrum anthelmintic, used against nematode infection.

Technology Process of (2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

There total 5 articles about (2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile 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: 97.8%

: 844-24-6
4-chloro-α-[2-chloro-4-hydroxyimino-5-methylcyclohexa-2,5-dien-1-ylidene]phenylacetonitrile

: 61437-85-2
2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

Guidance literature:: With hydrazine hydrate; sodium hydroxide; In diethylene glycol; at 200 ℃; for 6h; Temperature; Solvent; Sealed tube;

Reference yield:

: 4-chloro-α-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile

: 7439-89-6
iron

: 108-88-3,15644-74-3,16713-13-6
toluene

: 61437-85-2
2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

Guidance literature:: With ammonium chloride;

Reference yield:

: 30273-47-3
4-bromo-5-chloro-2-methyl aniline

: 140-53-4
p-chlorobenzyl cyanide

: 61437-85-2
2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

Guidance literature:: 4-bromo-5-chloro-2-methyl aniline; p-chlorobenzyl cyanide; With caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃;

With palladium diacetate; triphenylphosphine; at 120 ℃; for 2h;
DOI:10.1073/pnas.0915125107