1-deoxy-D-xylulose

Base Information

• Chemical Name: 1-deoxy-D-xylulose
• CAS No.: 60299-43-6
• Molecular Formula: C5H10 O4
• Molecular Weight: 134.132
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID50209046
• Nikkaji Number: J90.096F
• Wikidata: Q27103653
• Mol file: 60299-43-6.mol

Synonyms:1-deoxy-2-pentulose;deoxyxylulose

Chemical Property of 1-deoxy-D-xylulose

Chemical Property:

• PSA: 77.76000
• LogP: -1.71050
• Storage Temp.: ?20°C
• Solubility.: DMSO, Methanol
• XLogP3: -2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 134.05790880
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

1-Deoxy-D-xylulose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C(C(CO)O)O
• Isomeric SMILES: CC(=O)[C@H]([C@@H](CO)O)O
• Uses: 1-Deoxy-D-xylulose is a derivative of D-Xylulose (X750900), a compound used through fermentation to produce ethanol.

Technology Process of 1-deoxy-D-xylulose

There total 4 articles about 1-deoxy-D-xylulose 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:

D-Glyceraldehyde (453-17-8,367-47-5,26793-98-6) + sodium pyruvate (113-24-6) → 1,4-dideoxypentodiulose (142937-56-2) + 1-deoxy-D-xylulose (60299-43-6)

Guidance literature:

at 37 ℃; for 20h; Mechanism; cell-free systems from Escherichia coli; different bacterias; origin of carbon atoms in the products;

DOI:10.1016/S0040-4039(98)01301-X

Reference yield:

D-arabinose-5-phosphate (13137-52-5) + hydroxy-2-propanone (116-09-6) → D-threose (95-43-2) + 1-deoxy-D-xylulose (60299-43-6) + 1-deoxy-D-fructose 6-phosphate

Guidance literature:

With D-fructose-6-phosphate aldolase; In aq. buffer; for 24h; pH=7.5; Time; Mechanism; Green chemistry; Enzymatic reaction;

DOI:10.1039/c3gc42140f

Reference yield:

2-deoxy-D-arabino-hexopyranose (61-58-5,13299-15-5,13299-16-6,14215-77-1,14215-78-2,20789-85-9,23568-30-1,25494-04-6,34339-39-4,34339-40-7,34339-46-3,34339-47-4,114717-20-3,114717-21-4,137491-75-9,137491-76-0) → 1-deoxy-D-erythro-2-pentulose (66065-07-4) + 1-deoxy-D-xylulose (60299-43-6)

Guidance literature:

With pyranose 2-oxidase; catalase; In water; at 22 ℃; for 192h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3765(19981204)4:12<2442::AID-CHEM2442>3.0.CO;2-A

upstream raw materials:

2-deoxy-D-arabino-hexopyranose

D-Glyceraldehyde

sodium pyruvate

glycolaldehyde dimer

Downstream raw materials:

2-C-methyl-D-erythritol

5-hydroxy-6-methyl-3,4-pyridinedimethanol

Tetra-O-acetyl-1-deoxy-D-lyxitol

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