4-Chloro-3-(dimethylamino)benzonitrile

Base Information

Chemical Name:4-Chloro-3-(dimethylamino)benzonitrile
CAS No.:189628-41-9
Molecular Formula:C9H9ClN2
Molecular Weight:180.637
Hs Code.:
DSSTox Substance ID:DTXSID401283778

Synonyms:4-chloro-3-(dimethylamino)benzonitrile;189628-41-9;DTXSID401283778;AKOS018969579

Suppliers and Price of 4-Chloro-3-(dimethylamino)benzonitrile

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Chloro-3-(dimethylamino)benzonitrile

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.0454260
Heavy Atom Count:12
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C)C1=C(C=CC(=C1)C#N)Cl

Technology Process of 4-Chloro-3-(dimethylamino)benzonitrile

There total 1 articles about 4-Chloro-3-(dimethylamino)benzonitrile 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: 88.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 53312-79-1
3-amino-4-chloro-benzonitrile

: 189628-41-9
4-Chloro-3-dimethylamino-benzonitrile

Guidance literature:: With sodium cyanoborohydride; acetic acid; for 18h; Ambient temperature;
DOI:10.1021/jm9700225

Reference yield:

: 189628-41-9
4-Chloro-3-dimethylamino-benzonitrile

: {2-Chloro-5-[1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-phenyl}-dimethyl-amine

Guidance literature:: Multi-step reaction with 3 steps

1: trimethylaluminum / 1.) toluene, a) 0 deg C -RT, b) RT, 3.5 h, 2.) toluene, 70 deg C - 75 deg C, 17 h

2: sodium hydrogencarbonate / isopropyl alcohol / 20 h / 75 - 80 °C

3: toluene-4-sulfonic acid / toluene / 72 h / Heating

With trimethylaluminum; sodium hydrogencarbonate; toluene-4-sulfonic acid; In isopropyl alcohol; toluene;
DOI:10.1021/jm9700225

Reference yield:

: 189628-41-9
4-Chloro-3-dimethylamino-benzonitrile

: 1026290-24-3
2-(4-Chloro-3-dimethylamino-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-ol

Guidance literature:: Multi-step reaction with 2 steps

1: trimethylaluminum / 1.) toluene, a) 0 deg C -RT, b) RT, 3.5 h, 2.) toluene, 70 deg C - 75 deg C, 17 h

2: sodium hydrogencarbonate / isopropyl alcohol / 20 h / 75 - 80 °C

With trimethylaluminum; sodium hydrogencarbonate; In isopropyl alcohol;
DOI:10.1021/jm9700225