2,4,6-Trimethyl-3-hydroxybenzonitrile

Base Information

Chemical Name:2,4,6-Trimethyl-3-hydroxybenzonitrile
CAS No.:99059-85-5
Molecular Formula:C₁₀H₁₁NO
Molecular Weight:161.203
Hs Code.:
DSSTox Substance ID:DTXSID501287585
Nikkaji Number:J1.074.790B

Synonyms:DTXSID501287585;2,4,6-Trimethyl-3-hydroxybenzonitrile;3-hydroxy-2,4,6-trimethylbenzonitrile;3-Hydroxy-2,4,6-trimethyl-benzonitril;99059-85-5

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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 2,4,6-Trimethyl-3-hydroxybenzonitrile

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:161.084063974
Heavy Atom Count:12
Complexity:205

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1C#N)C)O)C

Technology Process of 2,4,6-Trimethyl-3-hydroxybenzonitrile

There total 4 articles about 2,4,6-Trimethyl-3-hydroxybenzonitrile 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: 92.0%

: 594-27-4
tetramethylstannane

: 3-hydroxy-2,4,6-triiodobenzonitrile

: 99059-85-5
3-hydroxy-2,4,6-trimethyl-benzonitrile

Guidance literature:: With copper(l) iodide; triphenylphosphine; Pd₂(dibenzylideneacetone)2*CHCl₃; In 1-methyl-pyrrolidin-2-one; at 50 - 65 ℃;
DOI:10.1016/S0040-4039(99)00348-2

Reference yield:

: 873-62-1
m-cyanophenol

: 99059-85-5
3-hydroxy-2,4,6-trimethyl-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / BMTA*ICl₂ / CH₂Cl₂; dimethylsulfoxide

2: 92 percent / triphenylphosphine; copper(I) iodide / Pd₂dba2CHCl₃ / 1-methyl-pyrrolidin-2-one / 50 - 65 °C

With copper(l) iodide; BMTA*ICl₂; triphenylphosphine; Pd₂(dibenzylideneacetone)2*CHCl₃; In 1-methyl-pyrrolidin-2-one; dichloromethane; dimethyl sulfoxide; 1: Iodination / 2: Substitution;
DOI:10.1016/S0040-4039(99)00348-2