3-Oxopropanoic acid

Base Information

• Chemical Name: 3-Oxopropanoic acid
• CAS No.: 926-61-4
• Molecular Formula: C3H4O3
• Molecular Weight: 88.063
• Hs Code.: 2918300090
• UNII: 9K1T0U0R4C
• DSSTox Substance ID: DTXSID90239064
• Nikkaji Number: J7.174I
• Wikidata: Q27102737
• Metabolomics Workbench ID: 41124
• Mol file: 926-61-4.mol

Synonyms:malonic semialdehyde;malonic semialdehyde sodium salt

Chemical Property of 3-Oxopropanoic acid

Chemical Property:

• Vapor Pressure: 0.0154mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 237.3 °C at 760 mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 111.6 °C
• PSA: 54.37000
• Density: 1.258 g/cm³
• LogP: -0.34000
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 88.016043985
• Heavy Atom Count: 6
• Complexity: 66.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=O)C(=O)O

Technology Process of 3-Oxopropanoic acid

There total 30 articles about 3-Oxopropanoic acid 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:

(S)-Malic acid (97-67-6,78644-42-5) + (E)-3-Ureido-but-2-enoic acid ethyl ester (5435-44-9,22243-66-9) → 2H-pyran-2-one-5-carboxylic acid (500-05-0) + 3-oxopropanoic acid (926-61-4)

Guidance literature:

Reference yield:

(S)-Malic acid (97-67-6,78644-42-5) + sulfuric acid (7664-93-9) → 2H-pyran-2-one-5-carboxylic acid (500-05-0) + 3-oxopropanoic acid (926-61-4)

Guidance literature:

Reference yield:

but-3-enoic acid (625-38-7) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-oxopropanoic acid (926-61-4)

Guidance literature:

With potassium bromate; thallium(III) sulfate; sulfuric acid; In water; acetic acid; at 40 ℃; for 60h; Rate constant; Mechanism; Thermodynamic data; other mineral acid; other metal ion; E(excit.), ΔH(excit.), ΔS(excit.), ΔG(excit.);

upstream raw materials:

(S)-Malic acid

(E)-3-Ureido-but-2-enoic acid ethyl ester

3-methoxy-2-propen-1-oic acid

phenol

Downstream raw materials:

N-(2-carboxy-ethyl)-L-phenylalanine

N-acetyl-sulfanilic acid-(6-oxo-1,6-dihydro-pyrimidin-2-ylamide)

Refernces

• 1、 Gilliotte, Benjamin J.,Sanders, Cynthia L.,Wall, L. Kevin,Landolt, Robert G.. "Diagnosing Consecutive Reactions of Hypochlorite: pH and Oxidative Decarboxylation/Halogenation". . p. 3233 - 3234. Retrieved 1986.
• 2、 Sayee Kannan,Easwaramoorthy,Vijaya,Ramachandran. "Autocatalytic oxidation of β-alanine by peroxomonosulfate in the presence of copper(II) ion". . p. 44 - 49. Retrieved 2008.
• 3、 Sherigara, B. S.,Bhat, K. Ishwar,Pinto, Ivan,Gowda, N. M. Made. "Oxidation of L-Aspartic Acid and L-Glutamic Acid by Manganese(III) Ions in Aqueous Sulphuric Acid, Acetic Acid, and Pyrophosphate Media: A Kinetic Study". . p. 675 - 690. Retrieved 1995.
• 4、 Pishchugin,Tuleberdiev. "Interaction between Pyridoxal Hydrochloride and L-α-Asparagine in Comparison to L-α- and D-α-Aspartic Acids". . p. 49 - 54. Retrieved 2021/02/26.
• 5、 -. "MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS". Page/Page column. . Retrieved 2015/06/03.