2,3-Butanediol monoacetate

Base Information

• Chemical Name: 2,3-Butanediol monoacetate
• CAS No.: 56255-48-2
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• DSSTox Substance ID: DTXSID60971686
• Nikkaji Number: J36.592K
• Mol file: 56255-48-2.mol

Synonyms:2,3-Butanediol monoacetate;56255-48-2;3-hydroxybutan-2-yl acetate;2,3-butanediol acetate;SCHEMBL24227;DTXSID60971686;BCWWODMTUXMSAB-UHFFFAOYSA-N;AKOS025296068

Chemical Property of 2,3-Butanediol monoacetate

Chemical Property:

• Vapor Pressure: 0.0747mmHg at 25°C
• Boiling Point: 201.7°Cat760mmHg
• Flash Point: 79.5°C
• PSA: 46.53000
• Density: 1.021g/cm³
• LogP: 0.31880
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)OC(=O)C)O

Technology Process of 2,3-Butanediol monoacetate

There total 4 articles about 2,3-Butanediol monoacetate 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: 68.0%

racemic 2,3-butanediol diacetate (22152-23-4) → (R,R)-2,3-butandiol (24347-58-8) + acetic acid 2-hydroxy-1-methylpropyl ester (56255-48-2) + Lg-threo-2,3-diacetoxy-butane (73136-10-4)

Guidance literature:

With immobilised C_. antarctica lipase B; In phosphate buffer; decane; hexane; for 5h;

DOI:10.1016/S0957-4166(01)00109-4

Reference yield: 39.0%

2,3-diacetoxybutane (1114-92-7) → acetic acid 2-hydroxy-1-methylpropyl ester (56255-48-2) + 2.3-butanediol (513-85-9)

Guidance literature:

1,3-disubstituted tetraalkyldistannoxane (X = Y = Cl); In methanol; chloroform; for 312h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89888-4

Reference yield:

acetic acid (64-19-7,77671-22-8) + 2.3-butanediol (513-85-9) → acetic acid 2-hydroxy-1-methylpropyl ester (56255-48-2) + 2,3-diacetoxybutane (1114-92-7)

Guidance literature:

With sulfuric acid; at 110 - 140 ℃; for 10h; Time; chemoselective reaction; Catalytic behavior; Mechanism; Dean-Stark;

DOI:10.1039/c4gc00485j

upstream raw materials:

2,3-diacetoxybutane

racemic 2,3-butanediol diacetate

formic acid

acetic acid

Downstream raw materials:

DL-2,3-dibromobutane