Reductone

Base Information

• Chemical Name: Reductone
• CAS No.: 497-15-4
• Molecular Formula: C3H4 O3
• Molecular Weight: 88.063
• UNII: 5R0YG3SBR7
• DSSTox Substance ID: DTXSID60902415
• Metabolomics Workbench ID: 48948
• Nikkaji Number: J130.116K
• Wikidata: Q5572308
• Wikipedia: Glucic_acid
• Mol file: 497-15-4.mol

Synonyms:2-hydroxy-1,3-propanedial;2-hydroxymalonaldehyde;reductone;triose reductone

Chemical Property of Reductone

Chemical Property:

• Vapor Pressure: 0.276mmHg at 25°C
• Melting Point: 143°C dec.
• Boiling Point: 274°Cat760mmHg
• PKA: 6.18±0.10(Predicted)
• Flash Point: 133.8°C
• PSA: 54.37000
• Density: 1.38g/cm³
• LogP: -1.25490
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Sparingly)
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 88.016043985
• Heavy Atom Count: 6
• Complexity: 51.1

Purity/Quality:

98%Min ^*data from raw suppliers

Hydroxypropanedial ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)C(C=O)O
• Uses: Continuous vat dyeing and afterscouring; bleaching of clay, ground wood, and thermal mechanical pulp. Hydroxypropanedial is a compound useful in organic synthesis. A useful additive for producing organic photoelectric conversion element.

Technology Process of Reductone

There total 2 articles about Reductone 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:

Glyceraldehyde (56-82-6,367-47-5,26793-98-6) → glyceric acid (473-81-4,118916-26-0) + 2-hydroxy-3-oxopropionaldehyde (497-15-4)

Guidance literature:

With tempamine; recombinant oxalate decarboxylase from Bacillus subtilis; In aq. phosphate buffer; at 25 ℃; pH=5.2; Electrochemical reaction; Enzymatic reaction;

DOI:10.1039/c5cc06131h

Reference yield:

1,5-diphenylpenta-1,4-dien-3-ol (17791-55-8,17791-56-9,17791-57-0,3185-53-3) → 2-hydroxy-3-oxopropionaldehyde (497-15-4)

Guidance literature:

Multistep reaction; (i) O₃, MeOH, (ii) H₂, Pd-C;

Reference yield: 77.0%

2-hydroxy-3-oxopropionaldehyde (497-15-4) + N,N'-diphenylethylenediamine (150-61-8) → 2,3-dihydro-6-hydroxy-1,4-diphenyl-1,4-diazepinium perchlorate

Guidance literature:

With perchloric acid; In methanol; at 60 ℃;

upstream raw materials:

1,5-diphenylpenta-1,4-dien-3-ol

Glyceraldehyde

Downstream raw materials:

folate

Refernces