2-Bromo-3-oxobutyric acid tert-butyl ester

Base Information

• Chemical Name: 2-Bromo-3-oxobutyric acid tert-butyl ester
• CAS No.: 36082-04-9
• Molecular Formula: C8H13BrO3
• Molecular Weight: 237.09100
• DSSTox Substance ID: DTXSID30447308
• Nikkaji Number: J1.988.456B
• Mol file: 36082-04-9.mol

Synonyms:tert-butyl 2-bromo-3-oxobutanoate;2-bromo-3-oxobutyric acid tert-butyl ester;36082-04-9;2-bromo-3-oxo-butyric acid tert-butyl ester;SCHEMBL2440492;tert-Butyl 2-bromo-acetoacetate;tert-butyl-2-bromo-acetoacetate;DTXSID30447308;RSLRKDAIIQXZHX-UHFFFAOYSA-N;2-Bromoacetoacetic acid tert-butyl ester;2-bromo-3-oxo butyric acid tert-butyl ester

Chemical Property of 2-Bromo-3-oxobutyric acid tert-butyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.68060
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.00481
• Heavy Atom Count: 12
• Complexity: 193

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(=O)OC(C)(C)C)Br

Technology Process of 2-Bromo-3-oxobutyric acid tert-butyl ester

There total 3 articles about 2-Bromo-3-oxobutyric acid tert-butyl ester 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%

tert-butyl acetoacetate (1694-31-1) → 2-bromo-3-oxobutyric acid tert-butyl ester (36082-04-9)

Guidance literature:

With hydroxy(tosyloxy)iodobenzene; copper(ll) bromide; In acetonitrile; at 0 ℃; for 0.0833333h;

DOI:10.1016/0040-4039(95)01576-4

Reference yield:

tert-butyl acetoacetate (1694-31-1) → 2-bromo-3-oxobutyric acid tert-butyl ester (36082-04-9) + tert-butyl 2,2-dibromo-3-oxobutanoate

Guidance literature:

With N-Bromosuccinimide; In acetone; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.201801110

Reference yield:

→ 2-bromo-3-oxobutyric acid tert-butyl ester (36082-04-9)

Guidance literature:

N-Bromsuccinimid, tert.-Butylacetoacetat;

upstream raw materials:

tert-butyl acetoacetate

Downstream raw materials:

2-[(R)-3-(4-isopropyl-benzylcarbamoyl)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazin-1-yl]-4-methyl-thiazole-5-carboxylic acid tert-butyl ester

tert-butyl 2-acetoxy-2-benzyl-3-oxobutanoate

tert-butyl 2-benzyl-2-butyryloxy-3-oxobutanoate

(1S,2R,3S)-tert-butyl 1-acetyl-2-formyl-3-phenylcyclopropanecarboxylate

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