1187-87-7

Basic information

• Product Name: 5-Methyl-3-methylene-2-hexanone
• Synonyms: 5-Methyl-3-methylene-2-hexanone;5-Methyl-3-Methylenehexan-2-one;5-methyl-3-methylidenehexan-2-one
• CAS NO: 1187-87-7
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.1962
• Product Categories: Aliphatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 1187-87-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 170 °C at 760 mmHg
• Flash Point: 54.1 °C
• Appearance: /
• Density: 0.824 g/cm³
• Vapor Pressure: 1.5mmHg at 25°C
• Refractive Index: 1.419
• CAS DataBase Reference: 5-Methyl-3-methylene-2-hexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-3-methylene-2-hexanone(1187-87-7)
• EPA Substance Registry System: 5-Methyl-3-methylene-2-hexanone(1187-87-7)

Safety Data

• Hazardous Substances Data: 1187-87-7(Hazardous Substances Data)

Usage

Uses

5-Methyl-3-methylene-2-hexanone is an impurity of Tetrabenazine (T284000), an antipsychotic.

InChI:InChI=1/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3

Upstream product

• 1069-62-1 trimethyl[2-(2-methylpropyl)-3-oxobutyl]azanium iodide 
• 91342-74-4 3-[(dimethylamino)methyl]-5-methylhexan-2-one 
• 67262-91-3 3-bromo-5-methyl-3-(trimethylsilanyl-methyl)-hexan-2-one 
• 67262-89-9 2-Acetyl-4-methyl-2-trimethylsilanylmethyl-pentanoic acid methyl ester 
• 67262-90-2 3-(trimethylsilylmethyl)-5-methylhexan-2-one 
• 67262-93-5 3-Bromomethyl-5-methyl-hexan-2-one 
• 5699-53-6 2-acetyl-4-methyl-pentanoic acid 
• 50-00-0 formaldehyd 
• 110-12-3 5-Methyl-2-hexanone 
• 51756-13-9 (2-acetyl-2-methoxycarbonyl-4-methyl-pentyl)-trimethyl-ammonium; iodide 

Downstream Products

• 58-46-8 (3R^*,11bR^*)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzoquinolizin-2-one 
• 89929-27-1 (+/-)-9,10-dihydroxy-3c-isobutyl-(11br)-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one 

Relevant articles and documents

Real-Time Monitoring of Solid-Liquid Slurries: Optimized Synthesis of Tetrabenazine

Solid-liquid slurries are vital and increasingly prevalent in the pharmaceutical and chemical industries. Despite the importance of these heterogeneous systems, process control and optimization are fundamentally hindered by a lack of compatible real-time analytical techniques. We present herein an online HPLC monitoring platform enabling access to real-time compositional information on slurries. We demonstrate the system by investigating the heterogeneous synthesis reaction of tetrabenazine. Furthermore, we integrated our online HPLC platform with the orthogonal monitoring techniques of a pH probe and a microscopic imaging probe to provide additional mechanistic insight. These combined insights enable the optimization of tetrabenazine synthesis in terms of reaction time, byproduct formation, and diastereomeric purity of the final product.