2-hydroxy-3-tert-butyl benzonitrile

Base Information

• Chemical Name: 2-hydroxy-3-tert-butyl benzonitrile
• CAS No.: 340131-70-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.22702
• Hs Code.: 2926907090
• Mol file: 340131-70-6.mol

Synonyms:2-hydroxy-3-tert-butyl benzonitrile;3-tert-butyl-2-hydroxybenzonitrile

Chemical Property of 2-hydroxy-3-tert-butyl benzonitrile

Chemical Property:

• Melting Point: 131-132 °C
• Boiling Point: 276.2±28.0 °C(Predicted)
• PKA: 8.54±0.10(Predicted)
• PSA: 44.02000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 2.56138
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3-(tert-Butyl)-2-hydroxybenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-hydroxy-3-tert-butyl benzonitrile

There total 2 articles about 2-hydroxy-3-tert-butyl benzonitrile 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: 71.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-tert-Butylphenol (88-18-6) → 2-hydroxy-3-tert-butyl benzonitrile (340131-70-6)

Guidance literature:

formaldehyd; 2-tert-Butylphenol; With triethylamine; magnesium chloride; In tetrahydrofuran; Heating;

With ammonium hydroxide; In tetrahydrofuran; methanol; for 0.5h;

With ortho-iodoxybenzoic acid; In tetrahydrofuran; methanol; water; Further stages.;

DOI:10.1016/j.tetlet.2008.05.006

Reference yield:

3-tert-butyl-2-hydroxybenzaldehyde (24623-65-2) → 2-hydroxy-3-tert-butyl benzonitrile (340131-70-6)

Guidance literature:

With hydroxyamino hydrochloride; anhydrous Sodium acetate; In formic acid; Reflux;

DOI:10.1016/j.ejmech.2022.114260

Reference yield: 84.0%

(1S,2S)-2-amino-1,2-diphenylethanol (530-36-9,3764-63-4,13286-63-0,23190-16-1,23190-17-2,23364-44-5,23412-95-5,39664-87-4,88082-66-0) + 2-hydroxy-3-tert-butyl benzonitrile (340131-70-6) → (4S,5S)-4,5-dihydro-4,5-diphenyl-2-(2'-hydroxy-3'-tert-butylphenyl)-oxazoline (340131-68-2)

Guidance literature:

With zinc(II) chloride; In chlorobenzene; for 20h; Heating;

DOI:10.1016/S0022-328X(00)00687-2

upstream raw materials:

formaldehyd

2-tert-Butylphenol

3-tert-butyl-2-hydroxybenzaldehyde

Downstream raw materials:

(4S,5S)-4,5-dihydro-4,5-diphenyl-2-(2'-hydroxy-3'-tert-butylphenyl)-oxazoline

(4S,5R)-4,5-dihydro-4,5-diphenyl-2-(2'-hydroxy-3'-tert-butylphenyl)-oxazoline

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