Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-

Base Information

• Chemical Name: Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-
• CAS No.: 941-44-6
• Molecular Formula: C11H19NO
• Molecular Weight: 181.278
• DSSTox Substance ID: DTXSID10455365
• Nikkaji Number: J975.297H,J1.761.771K,J1.761.778H
• Mol file: 941-44-6.mol

Synonyms:941-44-6;Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-;DTXSID10455365;1-Hydroxy-4-tert-butylcyclohexane-1-carbonitrile;1-Hydroxy-4beta-tert-butylcyclohexane-1beta-carbonitrile;1-Hydroxy-4beta-tert-butylcyclohexane-1alpha-carbonitrile

Chemical Property of Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.146664230
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)(C#N)O

Technology Process of Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-

There total 5 articles about Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy- 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:

sodium cyanide (143-33-9,25596-52-5) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butyl-1-hydroxy-cyclohexanecarbonitrile (941-44-6)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1021/jo00962a016

Reference yield:

trimethylsilyl cyanide (7677-24-9) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butyl-1-hydroxy-cyclohexanecarbonitrile (941-44-6)

Guidance literature:

With hydrogenchloride; copper(II) bis(trifluoromethanesulfonate); Yield given. Multistep reaction; 1.) MeCN, r.t., 2 h; 2.) MeCN, 0 deg C;

DOI:10.1016/S0040-4039(98)00594-2

Reference yield:

4-tercbutyl-cyclohexanone (98-53-3) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 4-tert-butyl-1-hydroxy-cyclohexanecarbonitrile (941-44-6)

Guidance literature:

With ytterbium(III) isopropoxide; In tetrahydrofuran; for 0.5h; Yield given; Ambient temperature;

DOI:10.1246/cl.1993.375

upstream raw materials:

sodium cyanide

4-tercbutyl-cyclohexanone

potassium cyanide

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

trans-1-Piperidino-1-cyano-4-tert.butylcyclohexan

cis-1-Piperidino-1-cyano-4-tert.butyl-cyclohexan

<1-Cyan-4-tert-butyl-cyclohexyl>-dimethylamin

1-((1S,2S,4R)-4-tert-Butyl-2-methyl-cyclohexyl)-ethanone