Isopropyl 2-oxopropanoate

Base Information

• Chemical Name: Isopropyl 2-oxopropanoate
• CAS No.: 923-11-5
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20433351
• Nikkaji Number: J354.573C
• Wikidata: Q63395691
• Mol file: 923-11-5.mol

Synonyms:isopropyl 2-oxopropanoate;923-11-5;isopropyl pyruvate;Propan-2-yl 2-oxopropanoate;Propanoic acid, 2-oxo-, 1-methylethyl ester;isopropylpyruvate;isopropyl2-oxopropanoate;Pyruvic acid isopropyl ester;SCHEMBL427360;DTXSID20433351;WUBJISGMPZWFKY-UHFFFAOYSA-N;CS-M0668;AKOS006371533;CS-13694;A928275;Q63395691

Chemical Property of Isopropyl 2-oxopropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 0.52700
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

≥95% ^*data from raw suppliers

isopropyl2-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(=O)C

Technology Process of Isopropyl 2-oxopropanoate

There total 1 articles about Isopropyl 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:

LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + isopropyl alcohol (67-63-0,8013-70-5) → 1,1-diisopropoxy-ethane (4285-59-0) + Isopropyl acetate (108-21-4) + isopropyl pyruvate (923-11-5)

Guidance literature:

With H₆[PV₃Mo₉O₄₀]; at 100 ℃; for 4h; under 11251.1 Torr;

Reference yield: 90.0%

1-styrenyloxytrimethylsilane (13735-81-4) + isopropyl pyruvate (923-11-5) → (-)-isopropyl 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoate

Guidance literature:

With 2,2,2-trifluoroethanol; (S)-N-[2-(2,4,6-(i-Pr)3-PhCH₂NH)Ph]-S-Me-S-Ph-sulfoximine; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1002/anie.200460953

Reference yield: 90.0%

1-styrenyloxytrimethylsilane (13735-81-4) + isopropyl pyruvate (923-11-5) → (-)-(R)-isopropyl 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoate

Guidance literature:

With 2,2,2-trifluoroethanol; (S)-N-[2-(2,4,6-(iPr)3-benzylamino)Ph]-S-Me-S-Ph-sulfoximine; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; at -40 ℃; for 28h;

DOI:10.1002/chem.200500497

upstream raw materials:

LACTIC ACID

isopropyl alcohol

Downstream raw materials:

2-Hydroxy-2--propionsaeure-isopropylester

(R)-isopropyl 2-hydroxypropanoate

(S)-isopropyl lactate

6-aza-2-thiothymine

Refernces