2-Hydroxy-2-(4-isopropylphenyl)acetonitrile

Base Information

• Chemical Name: 2-Hydroxy-2-(4-isopropylphenyl)acetonitrile
• CAS No.: 91132-18-2
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.23
• European Community (EC) Number: 899-842-7
• DSSTox Substance ID: DTXSID10558567
• Nikkaji Number: J859.812F
• Mol file: 91132-18-2.mol

Synonyms:91132-18-2;2-Hydroxy-2-(4-isopropylphenyl)acetonitrile;2-hydroxy-2-(4-propan-2-ylphenyl)acetonitrile;2-Hydroxy-2-[4-(propan-2-yl)phenyl]acetonitrile;Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)- (9CI);4-isopropylmandelonitrile;p-isopropylmandelonitrile;SCHEMBL8019231;DTXSID10558567;FLXIHTKCTUICKQ-UHFFFAOYSA-N;Hydroxy[4-(propan-2-yl)phenyl]acetonitrile;CS-0231159;EN300-1072800

Chemical Property of 2-Hydroxy-2-(4-isopropylphenyl)acetonitrile

Chemical Property:

• PSA: 44.02000
• LogP: 2.36698
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-2-(4-isopropylphenyl)acetonitrile

There total 4 articles about 2-Hydroxy-2-(4-isopropylphenyl)acetonitrile 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:

(4-isopropylbenzaldehyde) (122-03-2) → 2-hydroxy-2-(4-isopropylphenyl)acetonitrile (91132-18-2,178357-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnI₂

2: aq. HCl / tetrahydrofuran

With hydrogenchloride; zinc(II) iodide; In tetrahydrofuran;

DOI:10.1039/C39890001391

Reference yield:

potassium cyanide (151-50-8) + (4-isopropylbenzaldehyde) (122-03-2) → 2-hydroxy-2-(4-isopropylphenyl)acetonitrile (91132-18-2,178357-23-8)

Guidance literature:

With acetic acid; In methanol;

DOI:10.1016/S0040-4039(98)01990-X

Reference yield:

2-(4-isopropylphenyl)-2-((trimethylsilyl)oxy)acetonitrile (824940-92-3) → 2-hydroxy-2-(4-isopropylphenyl)acetonitrile (91132-18-2,178357-23-8)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1039/C39890001391

upstream raw materials:

2-(4-isopropylphenyl)-2-((trimethylsilyl)oxy)acetonitrile

potassium cyanide

(4-isopropylbenzaldehyde)

Downstream raw materials:

2-amino-1-(4-isopropylphenyl)ethanol

p-isopropylbenzoic acid

(4-isopropylbenzaldehyde)

(4-Isopropyl-phenyl)-oxo-acetonitrile

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