2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile

Base Information Edit

Chemical Name:2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
CAS No.:2543-46-6
Molecular Formula:C12H16 N2 O2
Molecular Weight:220.271
Hs Code.:
European Community (EC) Number:219-822-8
DSSTox Substance ID:DTXSID30948284
Nikkaji Number:J30.670C
Mol file:2543-46-6.mol

Synonyms:2543-46-6;2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile;EINECS 219-822-8;(1)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile;SCHEMBL1648005;3-(3,4-Dimethoxyphenyl)-2-amino-2-methyl propionitrile;DTXSID30948284;AKOS013801187;2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile;(+-)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile

Suppliers and Price of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile

Supply Marketing:Edit

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

Total 8 raw suppliers

Chemical Property of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile Edit

Chemical Property:

Vapor Pressure:2.13E-05mmHg at 25°C
Melting Point:86-88 °C
Boiling Point:361°Cat760mmHg
PKA:4.16±0.25(Predicted)
Flash Point:172.1°C
PSA：68.27000
Density:1.099g/cm³
LogP:2.18758
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:220.121177757
Heavy Atom Count:16
Complexity:273

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC(=C(C=C1)OC)OC)(C#N)N

Technology Process of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile

There total 6 articles about 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile 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: 43.2%

: [(S)-3-(3,4-dimethoxyphenyl)-2-amino-2-methylpropionitrile]-2-(2S,3S)-tartaric acid

: 2543-46-6
(±)-3-(3,4-dimethoxyphenyl)-2-amino-2-methylpropanenitrile

Guidance literature:: With ammonia; In water; at 25 ℃; for 4.5h; Temperature;

Reference yield:

: 773837-37-9
sodium cyanide

: 776-99-8
3,4-dimethoxyphenylacetone

: 2543-46-6
(±)-3-(3,4-dimethoxyphenyl)-2-amino-2-methylpropanenitrile

Guidance literature:: With ammonium hydroxide; ammonia; ammonium chloride; at 60 ℃; for 2h; under 3000.3 Torr; Temperature; Pressure;

Reference yield:

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 2543-46-6
(±)-3-(3,4-dimethoxyphenyl)-2-amino-2-methylpropanenitrile

Guidance literature:: Multi-step reaction with 3 steps

1: sodium ethylate

2: aqueous H₂SO₄

3: NH₄Cl; H₂O

With sulfuric acid; water; sodium ethanolate; ammonium chloride;
DOI:10.1021/ja01608a046