2-Hydroxy-2-methylpropanal

Base Information

• Chemical Name: 2-Hydroxy-2-methylpropanal
• CAS No.: 20818-81-9
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• Hs Code.: 2912491000
• European Community (EC) Number: 244-059-2
• DSSTox Substance ID: DTXSID70174929
• Nikkaji Number: J133.702E
• Wikidata: Q27225276
• Mol file: 20818-81-9.mol

Synonyms:2-hydroxy-2-methylpropanal

Chemical Property of 2-Hydroxy-2-methylpropanal

Chemical Property:

• Vapor Pressure: 5.59mmHg at 25°C
• Boiling Point: 125.7°C at 760 mmHg
• Flash Point: 38.9°C
• PSA: 37.30000
• Density: 0.985g/cm³
• LogP: -0.04380
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 56.6

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=O)O
• Uses: 2-Hydroxy-2-methylpropanal can be synthesized from Pyruvic Aldehyde Dimethyl Acetal (P998920), a synthetic reagent used in the preparation of MCL1 inhibitors.

Technology Process of 2-Hydroxy-2-methylpropanal

There total 38 articles about 2-Hydroxy-2-methylpropanal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

3-Chloromethanesulfonyl-2,2-dimethyl-oxirane (103722-11-8) → 2-hydroxy-2-methylpropanal (20818-81-9)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 1h;

Reference yield:

isobutene (115-11-7,15220-85-6) → 2-methyl-1,2-epoxypropane (558-30-5) + 1,2,4-trioxolane (289-14-5) + 3,3-dimethyl-1,2,4-trioxolane (22409-33-2) + dimethylketene (598-26-5) + 2-Methyl-1,2-propanediol (558-43-0) + 2-hydroxy-2-methylpropanal (20818-81-9)

Guidance literature:

With ozone; for 0.00388889h; under 4.1 Torr; Product distribution; Mechanism; reaction in gas phase; mass spectrum of ozone and title compound;

DOI:10.1021/ja00403a031

Reference yield:

(2-hydroxy-2-methyl-1-propyl)peroxyl radical (68860-47-9) → 2-Methyl-1,2-propanediol (558-43-0) + C4H9O2 + 2-hydroxy-2-methylpropanal (20818-81-9)

Guidance literature:

at 32.9 ℃; Kinetics; other temperatures;

DOI:10.1021/jp953292c

upstream raw materials:

2-bromo-2-methylpropanal

acetic acid

isobutyraldehyde

Isobutane

Downstream raw materials:

2-methyllactic acid

3-hydroxy-2-butanon

isobutyric Acid

2-Methyl-1,2-propanediol

Refernces

• 1、 Von Gunten,Haderlein,Acero,Schmidt,Suter,Von Gunten. "MTBE oxidation by conventional ozonation and the combination ozone/hydrogen peroxide: Efficiency of the processes and bromate formation". . p. 4252 - 4259. Retrieved 2001.
• 2、 Baker, Jillian,Arey, Janet,Atkinson, Roger. "Rate constants for the gas-phase reactions of OH radicals with a series of hydroxyaldehydes at 296 ± 2 K". . p. 7032 - 7037. Retrieved 2007/10/03.