3-Buten-2-one, 3-bromo-

Base Information

• Chemical Name: 3-Buten-2-one, 3-bromo-
• CAS No.: 61203-01-8
• Molecular Formula: C4H5BrO
• Molecular Weight: 148.987
• UNII: RWQ9ND5KX8
• DSSTox Substance ID: DTXSID00210122
• Nikkaji Number: J646.970A
• Wikidata: Q83084688
• ChEMBL ID: CHEMBL448583

Synonyms:3-Bromo-3-buten-2-one;3-BUTEN-2-ONE, 3-BROMO-;61203-01-8;Methyl 1-bromovinyl ketone;Methyl-1-bromovinyl ketone;CCRIS 1619;RWQ9ND5KX8;BRN 1738108;4-01-00-03446 (Beilstein Handbook Reference);3-bromobut-3-en-2-one;UNII-RWQ9ND5KX8;2-Bromo-1-butene-3-one;3-bromo-but-3-en-2-one;CHEMBL448583;SCHEMBL2423495;DTXSID00210122;.ALPHA.-BROMOVINYL METHYL KETONE;LS-47264

Chemical Property of 3-Buten-2-one, 3-bromo-

Chemical Property:

• Vapor Pressure: 1.83mmHg at 25°C
• Refractive Index: 1.4683 (estimate)
• Boiling Point: 165.9°Cat760mmHg
• Flash Point: 86.6°C
• PSA: 17.07000
• Density: 1.493g/cm³
• LogP: 1.48400
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.95238
• Heavy Atom Count: 6
• Complexity: 85.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=C)Br

Technology Process of 3-Buten-2-one, 3-bromo-

There total 10 articles about 3-Buten-2-one, 3-bromo- 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: 85.0%

3,4-dibromobutan-2-one (25109-57-3) → 3-bromobut-3-en-2-one (61203-01-8)

Guidance literature:

With sodium chloride; triethylamine; In chloroform;

Reference yield: 85.0%

(2-Bromo-3-oxo-butyl)-dimethyl-sulfonium; bromide (83769-09-9) → 3-bromobut-3-en-2-one (61203-01-8)

Guidance literature:

With sodium hydrogencarbonate; Ambient temperature;

DOI:10.1139/v82-322

Reference yield: 81.0%

methyl vinyl ketone (78-94-4,25038-87-3) → 3-bromobut-3-en-2-one (61203-01-8)

Guidance literature:

With water; Selectfluor; potassium bromide; In acetonitrile; for 2h;

DOI:10.1021/jo048383x

upstream raw materials:

(2-bromo-1-methylen-allyl)-methyl ether

3,4-dibromobutan-2-one

3-bromo-3-phenylselenobutan-2-one

methyl vinyl ketone

Downstream raw materials:

1-(2,3-dihydroimidazo<2,1-b>thiazol-6-yl)ethanone

1-[1-bromo-4-(4-methyl-3-pentenyl)-3-cyclohexenyl]ethan-1-one

4-(p-Anisoxy)-3-buten-2-on

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