Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI)

Base Information

• Chemical Name: Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI)
• CAS No.: 121985-97-5
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• Mol file: 121985-97-5.mol

Synonyms:Benzeneacetonitrile,a-hydroxy-4-(1-methylethyl)-, (R)-

Chemical Property of Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI)

Chemical Property:

• PSA: 44.02000
• LogP: 2.36698

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI)

There total 4 articles about Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI) 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:

trimethylsilyl cyanide (7677-24-9) + (4-isopropylbenzaldehyde) (122-03-2) → (-)-4-isopropyl-α-hydroxyphenylacetonitrile (178357-23-8) + 4-isopropyl-α-hydroxyphenylacetonitrile (121985-97-5,178357-23-8)

Guidance literature:

trimethylsilyl cyanide; (4-isopropylbenzaldehyde); With titanium(IV) isopropylate; (1R,2R)-1,2-bis(3,5-di-t-pentylsalicylideneamino)cyclohexane; In dichloromethane; at -78 - 20 ℃; for 18h;

With hydrogenchloride; In dichloromethane; water; at 20 ℃; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/jo0161779

Reference yield:

hydrogen cyanide (74-90-8) + (4-isopropylbenzaldehyde) (122-03-2) → (-)-4-isopropyl-α-hydroxyphenylacetonitrile (178357-23-8) + 4-isopropyl-α-hydroxyphenylacetonitrile (121985-97-5,178357-23-8)

Guidance literature:

With tartrate buffer; In di-isopropyl ether; at 5 ℃; for 336h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; apple meal (R)-oxynitrilase;

DOI:10.1016/S0957-4166(97)00080-3

Reference yield:

potassium cyanide (151-50-8) + (4-isopropylbenzaldehyde) (122-03-2) → (-)-4-isopropyl-α-hydroxyphenylacetonitrile (178357-23-8) + 4-isopropyl-α-hydroxyphenylacetonitrile (121985-97-5,178357-23-8)

Guidance literature:

With acetic acid; In methanol; for 4h; Title compound not separated from byproducts; Prunnus capuli defatted meal, citrate buffer (pH 4.0);

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

upstream raw materials:

2-hydroxy-2-methylpropanenitrile

(4-isopropylbenzaldehyde)

hydrogen cyanide

potassium cyanide