3-BROMO-2-BUTANONE

Base Information

• Chemical Name: 3-BROMO-2-BUTANONE
• CAS No.: 814-75-5
• Deprecated CAS: 51486-69-2
• Molecular Formula: C4H7BrO
• Molecular Weight: 151.003
• Hs Code.: 29147000
• European Community (EC) Number: 212-404-6
• DSSTox Substance ID: DTXSID50883587
• Nikkaji Number: J193.200D
• Mol file: 814-75-5.mol

Synonyms:(?à)-a-Bromoethyl methyl ketone;1-Bromoethyl methyl ketone;2-Bromo-3-butanone;3-Bromo-2-butanone;3-Bromobutanone;a-Bromoethyl methyl ketone;

Chemical Property of 3-BROMO-2-BUTANONE

Chemical Property:

• Appearance/Colour: clear light yellow to brown liquid
• Vapor Pressure: 5.84mmHg at 25°C
• Refractive Index: 1.458-1.46
• Boiling Point: 141.5 °C at 760 mmHg
• Flash Point: 62.4 °C
• PSA: 17.07000
• Density: 1.434 g/cm³
• LogP: 1.35880
• Solubility.: Miscible with dichloromethane.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.96803
• Heavy Atom Count: 6
• Complexity: 60.6

Purity/Quality:

97% ^*data from raw suppliers

3-Bromobut-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,C
• Statements: 36/37/38-20/21/22-34-21/24-21/22
• Safety Statements: 36/37/39-26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)C)Br
• Uses: 3-Bromo-2-butanone is involved in the preparation of o-isopropyl S-3-oxobutan-2-yl dithiocarbonate by reaction with potassium o-isopropylxanthate, which on treatment with sulfuric acid gives 4,5-dimethyl-1,3-dithiol-2-one .

Technology Process of 3-BROMO-2-BUTANONE

There total 15 articles about 3-BROMO-2-BUTANONE 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: 100.0%

butanone (78-93-3) → 3-bromo-butanone (814-75-5)

Guidance literature:

With bromine;

DOI:10.1016/S0957-4166(01)00537-7

Reference yield: 88.0%

(Z)-2-Bromo-2-butene (3017-68-3) → 3-bromo-butanone (814-75-5)

Guidance literature:

With sodium hypobromide; In acetic acid; acetone; at 0 ℃;

DOI:10.1021/jo020739m

Reference yield: 80.0%

butanone (78-93-3) → 1-Bromo-2-butanone (816-40-0) + 3-bromo-butanone (814-75-5)

Guidance literature:

With Oxone; ammonium bromide; In methanol; at 20 ℃; for 8h; regioselective reaction;

DOI:10.1016/j.tetlet.2011.11.011

upstream raw materials:

2-acetoxy-2-butene

butanone

acetic acid

2,3-dimethyl-2-nitro-oxirane

Downstream raw materials:

3-(1'-pyrrolidinyl)-2-butanone

3-cyclohexylidene-butan-2-one

3-((4-methoxyphenyl)amino)butan-2-one

4,5-Dimethylthiazole