(R)-2-Phenyl-3-methylbutanenitrile

Base Information

Chemical Name:(R)-2-Phenyl-3-methylbutanenitrile
CAS No.:161967-83-5
Molecular Formula:C₁₁H₁₃N
Molecular Weight:159.231
Hs Code.:
DSSTox Substance ID:DTXSID001270826
Nikkaji Number:J1.294.713E

Synonyms:(R)-2-Phenyl-3-methylbutanenitrile;161967-83-5;Benzeneacetonitrile, alpha-(1-methylethyl)-, (alphaR)-;(2R)-3-methyl-2-phenylbutanenitrile;DTXSID001270826;(alphaR)-alpha-(1-Methylethyl)benzeneacetonitrile

Suppliers and Price of (R)-2-Phenyl-3-methylbutanenitrile

Supply Marketing:

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

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Chemical Property of (R)-2-Phenyl-3-methylbutanenitrile

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.104799419
Heavy Atom Count:12
Complexity:169

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C#N)C1=CC=CC=C1
Isomeric SMILES:CC(C)[C@@H](C#N)C1=CC=CC=C1

Technology Process of (R)-2-Phenyl-3-methylbutanenitrile

There total 8 articles about (R)-2-Phenyl-3-methylbutanenitrile 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: 82.0%

: 7677-24-9
trimethylsilyl cyanide

: 2-methyl-1-phenylpropyl 3,5-bis(trifluoromethyl)benzoate

: 161967-83-5
(R)-3-methyl-2-phenylbutanenitrile

: 174411-82-6
(S)-3-methyl-2-phenylbutanenitrile

Guidance literature:: With (3aR,3a’R,8aS,8a’S)-2,2’-(cyclopropane-1,1-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]-oxazole); tetrakis(acetonitrile)copper(I)tetrafluoroborate; 10-phenyl-10H-phenothiazine; In para-xylene; N,N-dimethyl-formamide; at 20 ℃; for 24h; enantioselective reaction; Inert atmosphere; Schlenk technique; Sealed tube; Irradiation;
DOI:10.1002/cjoc.202000309

Reference yield: 79.0%

: 25117-57-1
2-bromo-3-methylbutyronitrile

: 100-58-3
phenylmagnesium bromide

: 161967-83-5
(R)-3-methyl-2-phenylbutanenitrile

Guidance literature:: phenylmagnesium bromide; With zinc dimethoxide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

2-bromo-3-methylbutyronitrile; With (1,2-dimethoxyethane)dichloronickel(II); N,N,N,N,-tetramethylethylenediamine; (4S,4'S)-2,2'-(cyclopentane-1,1-diyl)bis(4-iso-propyl-4,5-dihydrooxazole); In tetrahydrofuran; at -78 ℃; for 48h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja303442q

Reference yield:

: 3508-94-9
3-methyl-2-phenylbutyric acid

: 161967-83-5
(R)-3-methyl-2-phenylbutanenitrile

: 174411-82-6
(S)-3-methyl-2-phenylbutanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 18 h / 0 - 20 °C

2: tris[2-phenylpyridinato-C2,N]iridium(III); copper(I) bromide; (3aR,3a’R,8aS,8a’S)-2,2’-(cyclopropane-1,1-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]-oxazole) / para-xylene; N,N-dimethyl-formamide / 24 h / 20 °C / Irradiation; Sealed tube; Inert atmosphere

With dmap; tris[2-phenylpyridinato-C₂,N]iridium(III); (3aR,3a’R,8aS,8a’S)-2,2’-(cyclopropane-1,1-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]-oxazole); dicyclohexyl-carbodiimide; copper(I) bromide; In dichloromethane; para-xylene; N,N-dimethyl-formamide;
DOI:10.1021/jacs.7b09802