3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile

Base Information

Chemical Name:3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile
CAS No.:50654-42-7
Molecular Formula:C₁₁H₁₃NO
Molecular Weight:175.23
Hs Code.:
DSSTox Substance ID:DTXSID301264307
Nikkaji Number:J2.827.886A

Synonyms:3-hydroxy-2,2-dimethyl-3-phenylpropanenitrile;50654-42-7;Cambridge id 5107330;DTXSID301264307;HMS1577K22;STK386810;AKOS005431294;2-Methyl-2-(alpha-hydroxybenzyl)propionitrile;beta-Hydroxy-alpha,alpha-dimethylbenzenepropanenitrile

Suppliers and Price of 3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile

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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 3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C#N)C(C1=CC=CC=C1)O

Technology Process of 3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile

There total 13 articles about 3-Hydroxy-2,2-dimethyl-3-phenylpropanenitrile 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: 96.0%

: 78-67-1
2,2'-azobis(isobutyronitrile)

: 53151-59-0
C₂₁H₁₈O₃

: 1089675-68-2
3-hydroxy-2,2-dimethyl-4-oxo-3,4-diphenylbutyronitrile

: 50654-42-7
3-hydroxy-2,2-dimethyl-3-phenylproprionitrile

Guidance literature:: With titanium tetrachloride; In benzene; at 80 ℃; for 1.5h; Inert atmosphere;
DOI:10.1021/ja807613q

Reference yield: 95.0%

: 78-82-0
Isobutyronitrile

: 100-52-7
benzaldehyde

: 50654-42-7
3-hydroxy-2,2-dimethyl-3-phenylproprionitrile

Guidance literature:: methoxy(cyclooctadiene)rhodium(I) dimer; tricyclohexylphosphine; In dimethyl sulfoxide; toluene; at 25 ℃; for 24h;
DOI:10.1039/b800634b

Reference yield: 89.0%

: 1446698-40-3
2-dimethylsilyl-2-methylpropanenitrile

: 100-52-7
benzaldehyde

: 50654-42-7
3-hydroxy-2,2-dimethyl-3-phenylproprionitrile

Guidance literature:: 2-dimethylsilyl-2-methylpropanenitrile; benzaldehyde; In dimethyl sulfoxide; at 30 ℃; for 24h; Inert atmosphere;

With hydrogenchloride; In methanol; water; dimethyl sulfoxide; for 0.166667h; Reagent/catalyst; Solvent; Inert atmosphere;
DOI:10.1021/ol401663u