Tert-butyl 2-oxopropanoate

Base Information

• Chemical Name: Tert-butyl 2-oxopropanoate
• CAS No.: 76849-54-2
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• European Community (EC) Number: 823-895-7
• DSSTox Substance ID: DTXSID60461850
• Nikkaji Number: J886.663E
• Wikidata: Q82286284

Synonyms:Tert-butyl 2-oxopropanoate;76849-54-2;t-butyl pyruvate;tert-butyl pyruvate;Propanoic acid, 2-oxo-, 1,1-dimethylethyl ester;tert.-butyl pyruvate;Tert-butyl2-oxopropanoate;tert-butyl 2-oxopropanate;SCHEMBL1088879;DTXSID60461850;YVZKICWRYOHMRD-UHFFFAOYSA-N;AT12821;CS-0531089;EN300-179353

Chemical Property of Tert-butyl 2-oxopropanoate

Chemical Property:

• Boiling Point: 177.2±9.0 °C(Predicted)
• PSA: 43.37000
• Density: 0.996±0.06 g/cm3(Predicted)
• LogP: 0.91710
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

Tert-butyl2-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=O)OC(C)(C)C

Technology Process of Tert-butyl 2-oxopropanoate

There total 20 articles about Tert-butyl 2-oxopropanoate 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: 93.0%

tert-butyl acetoacetate (1694-31-1) → t-butyl pyruvate (76849-54-2)

Guidance literature:

With aluminum (III) chloride; Oxone; In water; at 20 ℃; for 0.166667h;

DOI:10.1021/jo4009047

Reference yield: 75.0%

2-(Methyl-p-tolyl-hydrazono)-propionic acid tert-butyl ester (177540-33-9) → N-methyl-N-nitroso-p-toluidine (937-24-6) + t-butyl pyruvate (76849-54-2)

Guidance literature:

With ozone; In dichloromethane;

DOI:10.1016/0040-4020(96)00219-0

Reference yield: 51.0%

2-oxo-propionic acid (127-17-3) + tert-butyl alcohol (75-65-0) → t-butyl pyruvate (76849-54-2)

Guidance literature:

With pyridine; methanesulfonyl chloride; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

DOI:10.1021/ol502965p

upstream raw materials:

2-oxo-propionic acid

isobutene

t-butyl bromide

silver pyruvate

Downstream raw materials:

D-lactic acid t-butyl ester

(+)-tert-butyl D-lactate

acetamide

thiourea

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