33967-19-0

Basic information

• Product Name: Medetomidine Impurity 2
• Synonyms: Medetomidine Impurity 2
• CAS NO: 33967-19-0
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.21756
• Mol File: 33967-19-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 225.8°Cat760mmHg
• Flash Point: 100°C
• Appearance: /
• Density: 0.981g/cm³
• Vapor Pressure: 0.048mmHg at 25°C
• Refractive Index: 1.526
• PKA: 14.71±0.20(Predicted)
• CAS DataBase Reference: Medetomidine Impurity 2(CAS DataBase Reference)
• NIST Chemistry Reference: Medetomidine Impurity 2(33967-19-0)
• EPA Substance Registry System: Medetomidine Impurity 2(33967-19-0)

Safety Data

• Hazardous Substances Data: 33967-19-0(Hazardous Substances Data)

Usage

Description

Medetomidine Impurity 2, also known as 1-(3,4-Dimethylphenyl)ethanol, is an intermediate in the production of Medetomidine (M203250), an α2-Adrenergic agonist. It plays a crucial role in the synthesis of Medetomidine, which is a sedative and analgesic agent.

Uses

Used in Pharmaceutical Industry:
Medetomidine Impurity 2 is used as an intermediate in the production of Medetomidine, an α2-Adrenergic agonist, for its sedative and analgesic properties. It contributes to the development of medications that help in calming and alleviating pain in various medical applications.

InChI:InChI=1/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9,11H,1-3H3

Upstream product

• 3637-01-2 3,4-dimethylacetophenone 
• 100646-19-3 1-(3',4'-dimethylphenyl)ethyl hydrogen phthalate 
• 67-63-0 isopropyl alcohol 
• 64394-34-9 3-(3,4-Dimethylphenyl)-2-butanon 
• 1309380-89-9 C₂₂H₂₃NO₃S 
• 1309381-11-0 3-(m,p-dimethylphenyl)-2-butanone oxime 
• 22884-95-3 3,4-dimethylbenzonitrile 
• 95-47-6 o-xylene 

Downstream Products

• 33967-19-0 (+)-1-(3',4'-dimethylphenyl)ethanol 
• 33967-19-0 (-)-1-(3',4'-dimethylphenyl)ethanol 
• 20871-94-7 (+)-1-(3',4'-dimethylphenyl)bromoethane 
• 3637-01-2 3,4-dimethylacetophenone 
• 1342259-85-1 (R)-1-(3,4-dimethylphenyl)ethyl valerate 
• 100760-03-0 (1R)-1-(3,4-dimethylphenyl)ethanol 
• 100760-07-4 (1S)-1-(3,4-dimethylphenyl)ethanol 
• 102405-26-5 (E)-Methyl 4-<2-(3,4-dimethylphenyl)-1-propenyl>benzoate 
• 119436-42-9 (Z)-Methyl 4-<2-(3,4-dimethylphenyl)-1-propenyl>benzoate 
• 119436-41-8 <1-(3,4-Dimethylphenyl)ethyl>triphenylphosphonium bromide 
• 102405-27-6 (E)-4-[2-(3,4-Dimethylphenyl)-1-propenyl]benzoic acid 
• 100646-39-7 3',4'-dimethyl-1-phenyl-1-bromoethane 
• 88563-50-2 1-(3,4-dimethylphenyl)ethyl pentafluorobenzoate 
• 100646-19-3 1-(3',4'-dimethylphenyl)ethyl hydrogen phthalate 

Relevant articles and documents

FLP-Catalyzed Transfer Hydrogenation of Silyl Enol Ethers

Herein we report the first catalytic transfer hydrogenation of silyl enol ethers. This metal free approach employs tris(pentafluorophenyl)borane and 2,2,6,6-tetramethylpiperidine (TMP) as a commercially available FLP catalyst system and naturally occurring γ-terpinene as a dihydrogen surrogate. A variety of silyl enol ethers undergo efficient hydrogenation, with the reduced products isolated in excellent yields (29 examples, 82 % average yield).

Dynamic path bifurcation in the Beckmann reaction: Support from kinetic analyses

The reactions of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles when the migrating groups have reasonable stability as cations. The reactions of oxime sulfonates of 1-substituted-phenyl-2-propanone derivatives (7-X) and related substrates (8-X, 9a-X) in aqueous CH3CN gave both rearrangement products (amides) and fragmentation products (alcohols), the ratio of which depends on the system; the reactions of 7-X gave amides predominantly, whereas 9a-X yielded alcohols as the major product. The logk-logk plots between the systems gave excellent linear correlations with slopes of near unity. The results support the occurrence of path bifurcation after the rate-determining TS of the Beckmann rearrangement/fragmentation reaction, which has previously been proposed on the basis of molecular dynamics simulations. It was concluded that path-bifurcation phenomenon could be more common than thought and that a reactivity-selectivity argument based on the traditional TS theory may not always be applicable even to a well-known textbook organic reaction.

Preparation of chiral 1-phenylethanols and bromides

A fast, convenient procedure for preparing and resolving moderate to large quantities of chiral secondary alcohols is described.The general procedure involves a one-pot conversion of the ketone (various acetophenones) to the half-ester of a diacid (succinic, phthalic...) and resolution with (+)- and (-)-1-phenylethylamines.Overall yields of the enantiomeric alcohols, the variously substituted 1-phenylethanols, are generally 65-85percent with optical purities of approximately 90percent.Properties and optical rotations of a number of chiral 1-phenylethanols and of the bromides made from them are tabulated.A discussion of optical purity determinations using nmr methods is included and absolute configurations are reported.