131801-69-9

Basic information

• Product Name: 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
• Synonyms: 1-[(1-CYANO)-1-(4-METHOXYPHENYL)METHYL] CYCLOHEXANOL;1-HYDROXYCYCLOHEXYL-4-METHOXY PHENYL ACETONITRILE;Venflaxaine1-[Cyano-(4-Methoxyphenyl)Methyl];1-[Cyano-(4-methoxyphenyl)methyl]cyclohexanolHCl;1-[Cyano-(4-methoxyphenyl)methyl]cyclohexanolhydrochloride;1-(HYDROCYCLOHEXYL)-(4-METHOXYPHENYL)ACETONITRILE;2-(1-hydroxycyclohexyl)-2-(4-methoxy)benzene acetonitrile;1-[2-AMINO-1-(4-METHOXYPHENYL)METHYL]CYCLOHEXANONE (+)
• CAS NO: 131801-69-9
• Molecular Formula: C15H20NO2
• Molecular Weight: 246.32
• Product Categories: Velafaxine;API intermediates
• Mol File: 131801-69-9.mol
• Article Data: 36

Chemical Properties

• Boiling Point: 410.146 °C at 760 mmHg
• Flash Point: 201.849 °C
• Appearance: /
• Density: 1.142 g/cm³
• CAS DataBase Reference: 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile(131801-69-9)
• EPA Substance Registry System: 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile(131801-69-9)

Safety Data

• Hazardous Substances Data: 131801-69-9(Hazardous Substances Data)

Usage

General Description

1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile is a chemical compound of formula C16H19NO2. 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile falls under the category of organic compounds known as aniline and substituted anilines, which are aromatic compounds containing an aniline or a substituted aniline moiety. It is composed of a benzene ring linked to an amine group by a single bond. In this particular compound, the amine group on the benzene ring is replaced by a methoxy group and the hydrogen of amine group is replaced by a hydroxycyclohexyl group. It also contains a cyano group (-CN), in which the carbon of the cyanide group is connected to the benzene ring. 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile is used for various reactions as a chemical intermediate in the pharmaceutical and chemical industry due to its high reactivity and diverse functional groups.

Upstream product

• 104-47-2 p-methoxybenzylnitrile 
• 874-90-8 4-methoxybenzonitrile 
• 108-94-1 cyclohexanone 
• 108-93-0 cyclohexanol 
• 100-42-5 styrene 

Downstream Products

• 149289-29-2 N,N-Didesmethyldesvenlafaxine 
• 93413-90-2 N-Desmethylvenlafaxine hydrochloride 
• 272788-07-5 N-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]formamide 

Relevant articles and documents

Synthesis and crystal structure of 1-(cyano(4-methoxyphenyl)methyl) cyclohexyl acetate

The title compound, C17H21NO3, was synthesized by the acetylation of the hydroxy group of 1-(cyano(4-methoxyphenyl)methyl)cyclohexanol, which was formed by the reaction of 4-methoxyphenyl acetonitrile with cyclohexanone. The compound was characterized spectroscopically, and the structure was investigated by X-ray crystallography. The compound crystallizes in the orthorhombic crystal class in the space group Pbca with cell parameters a = 13.412(6) A, b = 12.398(14) A, c = 19.026(19) A and V = 3164(5) A3 for Z = 8. The cyclohexane ring is in a chair conformation. The structure exhibits intermolecular hydrogen bonds of the type C-H....N and C-H....O. Copyright Taylor & Francis Group, LLC.

Method for industrially producing venlafaxine hydrochloride

The invention discloses a method for industrially producing venlafaxine hydrochloride, and relates to the technical field of drug organic synthesis. The method has the advantages of easily available raw materials of the whole synthetic route, mild reaction conditions, simple and convenient operation, high yield, environment friendliness and good repeatability of the preparation method, and can be used for preparing venlafaxine hydrochloride with high yield and high purity.

SUBSTITUTED ARYLUREA COMPOUNDS FOR INDUCING APOPTOSIS AND COMPOSITION FOR ANTICANCER COMPRISING THE SAME

The present invention relates to a substituted arylurea compound inducing apoptosis and an anticancer composition comprising the same. The present invention relates to a novel compound capable of preventing, treating and alleviating cancer diseases such as prostate cancer, breast cancer, lung cancer, colorectal cancer, and skin cancer by inhibiting apoptosis of cancer cells and inhibiting proliferation of cancer cells.

Method for preparing pharmaceutical intermediate with hydrotalcite material by catalysis

The invention belongs to the technical field of medicine, and particularly relates to a method for preparing a pharmaceutical intermediate with a hydrotalcite material by catalysis. The method includes first utilizing lithium fluoride as a modifier to modify the Zn/Al hydrotalcite material to obtain a hydrotalcite-supported lithium fluoride material. The hydrotalcite-supported lithium fluoride material can catalyze 4-methoxybenzyl cyanide and cyclohexanone to have condensation reaction to prepare 1-hydroxycyclohexyl-4-methoxybenzyl cyanide. The defects in the prior art of harsh reaction conditions, low yield and high environment pollution in the preparation process of overcomes the harsh reaction conditions in the preparation of a PRISTIQ and/or venlafaxine framework are overcome.