104174-42-7

Basic information

• Product Name: 1,3-Butanediol, 3-methyl-1-phenyl-
• CAS NO: 104174-42-7
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Mol File: 104174-42-7.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: 1,3-Butanediol, 3-methyl-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Butanediol, 3-methyl-1-phenyl-(104174-42-7)
• EPA Substance Registry System: 1,3-Butanediol, 3-methyl-1-phenyl-(104174-42-7)

Safety Data

• Hazardous Substances Data: 104174-42-7(Hazardous Substances Data)

Usage

Type of compound

Diol (contains two hydroxyl groups)

Physical state

Colorless liquid

Odor

Slightly sweet

Production method

Reaction of acetophenone with methylmagnesium bromide, followed by a reduction reaction

Applications

a. Production of pharmaceuticals
b. Solvent
c. Synthesis of other organic compounds
d. Ingredient in personal care and cosmetic products

Industrial and commercial uses

Range of uses due to unique chemical properties

Upstream product

• 768-49-0 (2-methyl-1-propenyl)-benzene 
• 7653-94-3 1,1-dimethyl-2-phenylcyclopropane 
• 43108-74-3 3-hydroxy-3-methyl-1-phenyl-1-butanone 
• 13735-81-4 1-styrenyloxytrimethylsilane 
• 100-52-7 benzaldehyde 
• 17383-99-2 4,4-dimethyl-2,6-diphenyl-1,3-dioxane 
• 5764-85-2 Ethyl 3-hydroxy-3-phenylpropanoate 
• 75-16-1 methylmagnesium bromide 
• 67210-34-8 1-phenyl-2-phenylsulfanyl-ethanol 
• 96-09-3 styrene oxide 
• 3087-39-6 titanium(IV) tert-butoxide 
• 558-42-9 3-chloro-2-methylpropan-2-ol 
• 917-64-6 methyl magnesium iodide 
• 67-64-1 acetone 

Downstream Products

• 43108-74-3 3-hydroxy-3-methyl-1-phenyl-1-butanone 
• 103-05-9 4-phenyl-2-methyl-2-butanol 
• 98-85-1 1-Phenylethanol 

Relevant articles and documents

The Stereochemical Course of the α-Hydroxyphosphonate-Phosphate Rearrangement

The phosphonate-phosphate rearrangement is an isomerisation of α-hydroxyphosphonates bearing electron-withdrawing substituents at the α-carbon atom. We studied the stereochemical course of this rearrangement with respect to phosphorus. A set of four diastereomeric α-hydroxyphosphonates was prepared by a Pudovik reaction from two diastereomeric cyclic phosphites. The hydroxyphosphonates were separated and rearranged with Et3N as base. In analogy to trichlorphon, which was the first reported compound undergoing this rearrangement. All four hydroxyphosphonates could be rearranged to 2,2-dichlorovinyl phosphates. Single-crystal X-ray structure analyses of the α-hydroxyphosphonates and the corresponding phosphates allowed us to show that the rearrangement proceeds with retention of configuration on the phosphorus atom.

PROCESS FOR PRODUCING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL

The present invention relates to the field of perfumery. More particularly, it concerns a process for the preparation of 2-methyl-4-phenyl-2-butanol, or even 4-cyclohexyl-2-methyl-2-butanol from 4,4-dimethyl-2,6-diphenyl-1,3-dioxane.

LiClO4-Activated stereo- and regioselective alkylation of aldehydes

Aldehydes undergo an unusual and very mild alkylation by LiClO 4-activation in the presence of acids. This new methodology enables the inclusion of a broad range of aldehydes as well as tertiary alcohols. Regio- and stereoselectivity observed during this reaction will be discussed.