3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE

Base Information

• Chemical Name: 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE
• CAS No.: 1611-07-0
• Molecular Formula: C16H23NO
• Molecular Weight: 245.365
• Hs Code.: 2926909090
• Mol file: 1611-07-0.mol

Synonyms:Acetonitrile,(3,5-di-tert-butyl-4-hydroxyphenyl)- (7CI,8CI);(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile;2,6-Di-tert-butyl-4-(cyanomethyl)phenol;a-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile;

Chemical Property of 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE

Chemical Property:

• Appearance/Colour: Colourless to light yellow crystalline solid
• Vapor Pressure: 0.000143mmHg at 25°C
• Melting Point: 104 °C
• Refractive Index: 1.513
• Boiling Point: 323 °C at 760 mmHg
• PKA: 11.67±0.40(Predicted)
• Flash Point: 149.2 °C
• PSA: 44.02000
• Density: 0.991 g/cm³
• LogP: 4.05328
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE

There total 6 articles about 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE 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: 95.0%

→ 4-hydroxy-2,6-di-t-butylphenylacetonitrile + 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile (1611-07-0)

Guidance literature:

Reference yield: 90.0%

4-(bromomethyl)-2,6-di-tert-butylphenol (2091-51-2) + potassium cyanide (151-50-8) → 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile (1611-07-0)

Guidance literature:

With dmap; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2008.01.061

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine (88-27-7) → 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile (1611-07-0)

Guidance literature:

In methanol;

upstream raw materials:

4-(bromomethyl)-2,6-di-tert-butylphenol

potassium cyanide

sodium cyanide

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

ethyl 4-hydroxy-3,5-di-tert-butylbenzoate

2,6-di-tert-butyl-4-(cyanomethylene)-2,5-cyclohexadien-1-one

7-tert-Butyl-2-methyl-5-benzoxazolacetonitril

4-Hydroxy-3,5-di-tert.-butyl-phenyl-essigsaeure-N-<2-(3-methoxy-4-benzyloxy-phenyl)-aethyl>-amid

Refernces

• 1、 -. "Method of preparing 4-(α-hydrocarbyl-α-cyanomethyl)2,6-di-substituted phenols". . . Retrieved 2008/06/13.
• 2、 Dreher, Eberhard-Ludwig,Bracht, Juergen,El-Mobayed, Medhat,Huetter, Peter,Winter, Werner,Rieker, Anton. "Electrochemical Oxidation, VII. Synthesis and Structure of 7-tert-Butyl-2-methylbenzoxazoles". . p. 288 - 308. Retrieved 2007/10/02.