3393-64-4

Basic information

• Product Name: 4-HYDROXY-3-METHYL-2-BUTANONE
• Synonyms: 4-HYDROXY-3-METHYL-2-BUTANONE;3-(Hydroxymethyl)-2-butanone;4-hydroxy-3-methylbutan-2-one;4-HYDROXY-4-METHYL-2-BUTANONE;1-Hydroxy-2-methyl-3-butanone;4-Hydroxy-3-methyl-2-butanone,85%,tech.;4-Hydroxy-3-methyl-2-butanone, tech 85%;4-hydroxy-3-methylbutan-2-one(WXC09112)
• CAS NO: 3393-64-4
• Molecular Formula: C₅H₁₀O₂
• Molecular Weight: 102.13
• EINECS: 222-238-6
• Mol File: 3393-64-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 2.5°C (estimate)
• Boiling Point: 90-95 °C/15 mmHg(lit.)
• Flash Point: 79 °C
• Appearance: /
• Density: 0.993 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.153mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• PKA: 14.44±0.10(Predicted)
• Sensitive: Hygroscopic
• CAS DataBase Reference: 4-HYDROXY-3-METHYL-2-BUTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-3-METHYL-2-BUTANONE(3393-64-4)
• EPA Substance Registry System: 4-HYDROXY-3-METHYL-2-BUTANONE(3393-64-4)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 3393-64-4(Hazardous Substances Data)

Usage

Description

4-Hydroxy-3-methyl-2-butanone, also known as diacetone alcohol, is a chemical compound with the molecular formula C5H10O2. It is a colorless liquid with a mild, pleasant odor and is soluble in water. It is commonly used as a solvent and a starting material for the synthesis of various organic compounds.

Uses

Used in Chemical Synthesis:
4-Hydroxy-3-methyl-2-butanone is used as a starting material for the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its reactivity and versatility make it a valuable intermediate in the chemical industry.
Used in Solvent Applications:
4-Hydroxy-3-methyl-2-butanone is used as a solvent in various industries, including paints, coatings, adhesives, and inks. Its ability to dissolve a wide range of substances and its low toxicity make it a preferred choice for many applications.
Used in Flavor and Fragrance Industry:
4-Hydroxy-3-methyl-2-butanone is used as a flavoring agent and a fragrance ingredient in the food and cosmetics industries. Its mild, pleasant odor and ability to blend well with other ingredients make it a popular choice for these applications.
Used in Vinylization and Collision-Induced Dehydration:
4-Hydroxy-3-methyl-2-butanone undergoes vinylization and collision-induced dehydration as the primary reactions when protonated. The product of the vinylization reaction consists of up to 40% of the total product ion distribution, making it a significant reaction in the synthesis of various compounds.

InChI:InChI=1/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3/t4-/m1/s1

Upstream product

• 814-78-8 3-Methyl-3-buten-2-one 
• 50-00-0 formaldehyd 
• 78-93-3 butanone 
• 6868-97-9 3-oxo-2,2-bis-(hydroxymethyl)butane 
• 623-11-0 1-methyl-4-nitrosobenzene 
• 13523-18-7 4-hydroxy-3-methyl-3-phenylsulfanyl-butan-2-one 
• 53486-97-8 (RS)-1-((SR)-2-methyl-oxiranyl)-1-(toluene-4-sulfonyloxy)-ethane 
• 176848-43-4 rac-4-(benzyloxy)-3-methylbutan-2-one 
• 7732-18-5 water 
• 78-94-4 methyl vinyl ketone 
• 73255-29-5 3-(hydroxymethyl)but-3-en-2-one 
• 98051-59-3 2-methyl-2-(2-hydroxy-1-methylethyl)-1,3-dithiane 
• 89358-46-3 4-hydroxy-3-methylbutan-2-one ethylene acetal 
• 609-14-3 2-acetylpropanoic acid ethyl ester 

Downstream Products

• 1660-93-1 3,4,7,8-Tetramethyl-o-phenanthrolin 
• 814-78-8 3-Methyl-3-buten-2-one 
• 19995-85-8 4-chloro-3-methyl-butan-2-one 
• 79-41-4 poly(methacrylic acid) 
• 1531-20-0 3,4-dimethyl-8-nitro-quinoline 
• 72681-39-1 3,4,7-trimethyl-quinoline 
• 51805-03-9 S-Ethyl-(β-methyl-γ-ketobutyl)-phenyl-thiophosphinat 
• 51804-95-6 C₁₃H₁₉O₂PS 
• 85937-45-7 4-<4-Chlor-anilino>-3-methyl-butanon-(2) 
• 91181-50-9 4-<4-Nitro-anilino>-3-methyl-butanon-(2) 
• 91558-39-3 4-(2-Methoxy-4-nitro-anilino)-3-methyl-butanon-⁽²⁾ 
• 92848-35-6 4-<4-Methoxy-2-nitro-anilino>-3-methyl-butanon-(2) 
• 91332-86-4 4-(2,4-Dinitro-anilino)-3-methyl-butanon-⁽²⁾ 
• 134251-44-8 5-hydroxy-4-methyl-1-phenyl-1,3-pentanedione 

Relevant articles and documents

Chelation, activation, and proximity effects in the deprotection of dithianes with ZnBr2. Applications in the polyketide field

(Matrix presented) Double deprotection of dithiane aldol equivalents is feasible under mild conditions with ZnBr2 and suitably placed MEM, BOM, and SEM groups which function as protecting, activating, and regiodirecting groups. The procedure is useful in natural product synthesis.

Method for preparing 3, 4-dimethylpyrazole and phosphate thereof

The invention discloses a method for preparing 3, 4-dimethylpyrazole and phosphate thereof. The method for preparing the 3, 4-dimethylpyrazole includes the steps: (1) feeding 2-butanone, aldehyde andalkali solution into a microchannel reactor and performing aldehyde ketone condensation reaction to produce 4-hydroxy-3-methyl-2-butanone salt; (2) mixing reaction liquid obtained in the step (1) andacid liquid in the microchannel reactor to obtain 4-hydroxy-3-methyl-2-butanone water solution; (3) performing reaction on hydrazine hydrate and the 4-hydroxy-3-methyl-2-butanone water solution in themicrochannel reactor, mixing reaction liquid with the alkali solution and hydrogen peroxide, and performing oxidative dehydrogenation reaction to obtain 3, 4-dimethylpyrazole water solution; (4) performing organic extraction and distillation on the 3, 4-dimethylpyrazole water solution to obtain the 3, 4-dimethylpyrazole. According to the method, reaction time is greatly shortened, the yield and the purity of products are ensured, and continuous production can be realized.

COMPOUND AND METHOD FOR THE TREATMENT OF PAIN

The disclosure herein provides a compound of formula 1. The disclosure also provides a method of synthesizing the compound of formula 1. The compound of formula 1 or its pharmaceutical acceptable salts, as well as polymorphs, solvates, and hydrates thereof may be formulated as pharmaceutical composition. The pharmaceutical composition of compound of formula 1 or the final compound may be formulated for non-invasive peroral, topical (example transdermal), enteral, transmucosal, targeted delivery, sustained release delivery, delayed release, pulsed release and parenteral methods. Such compositions may be used to treat chronic pain manifested with chronic diseases or its associated complications.