4-Bromo-3-oxobutanoyl bromide

Base Information

• Chemical Name: 4-Bromo-3-oxobutanoyl bromide
• CAS No.: 52148-44-4
• Molecular Formula: C4H4Br2O2
• Molecular Weight: 243.88100
• DSSTox Substance ID: DTXSID90510981
• Wikidata: Q82369576
• Mol file: 52148-44-4.mol

Synonyms:4-bromo-3-oxobutanoyl bromide;52148-44-4;bromoacetoacetyl bromide;4-bromoacetoacetyl bromide;3-oxo-4-bromobutyryl bromide;SCHEMBL5847597;DTXSID90510981;KXVSPXCGTNISAP-UHFFFAOYSA-N;SY287828

Chemical Property of 4-Bromo-3-oxobutanoyl bromide

Chemical Property:

• PSA: 34.14000
• LogP: 1.26200
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.85576
• Heavy Atom Count: 8
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)CBr)C(=O)Br

Technology Process of 4-Bromo-3-oxobutanoyl bromide

There total 2 articles about 4-Bromo-3-oxobutanoyl bromide 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:

→ 4-bromo-3-oxobutyric acid bromide (52148-44-4) + diphenylmethyl 7-(4-bromoacetoacetamido)-3[(Z)-2-(1,2,3-thiadiazol-4-yl)vinyl]-3-cephem-4-carboxylate

Guidance literature:

Reference yield:

→ 4-bromo-3-oxobutyric acid bromide (52148-44-4) + benzhydryl 7-(4-bromoacetoacetamido)-3-vinyl-3-cephem-4-carboxylate

Guidance literature:

Reference yield: 97.0%

4-bromo-3-oxobutyric acid bromide (52148-44-4) + N-(2,5-dimethoxybenzyl)glycine ethyl ester → [(4-Bromo-3-oxo-butyryl)-(2,5-dimethoxy-benzyl)-amino]-acetic acid ethyl ester

Guidance literature:

With triethylamine; In dichloromethane; at -40 ℃;

DOI:10.1021/jo00208a053

Downstream raw materials:

4-bromo-3-oxo-N-phenylbutanamide

(6R,7S)-7-(4-Bromo-3-oxo-butyrylamino)-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

[(4-Bromo-3-oxo-butyryl)-(2,4-dimethoxy-benzyl)-amino]-acetic acid ethyl ester

O-(γ-bromoacetoacetyl)oxime

Refernces

• 1、 -. "7-Substituted-3-vinyl-3-cephem compounds and processes for production of the same". . . Retrieved 2008/06/13.