D-arabino-2-Hexulosonic acid, methyl ester

Base Information

• Chemical Name: D-arabino-2-Hexulosonic acid, methyl ester
• CAS No.: 21063-40-1
• Molecular Formula: C7H12O7
• Molecular Weight: 208.168
• European Community (EC) Number: 244-187-9
• UNII: 17CQ621NHN
• DSSTox Substance ID: DTXSID4027814
• Nikkaji Number: J225.390I
• Wikidata: Q27251900
• Mol file: 21063-40-1.mol

Synonyms:Methyl 2-keto-D-gluconate;Methyl 2-oxogluconate;D-arabino-2-Hexulosonic acid, methyl ester;17CQ621NHN;21063-40-1;EINECS 244-187-9;D-arabino-Hexulosonic acid, methyl ester;methyl D-fructosonate;UNII-17CQ621NHN;METHYL 2-KETOGLUCONATE;DTXSID4027814;METHYL D-ARABINO-HEXULOSONATE;D-arabino-2-Hexulosonic acid methyl ester;LS-195447;Q27251900

Chemical Property of D-arabino-2-Hexulosonic acid, methyl ester

Chemical Property:

• Vapor Pressure: 6.81E-12mmHg at 25°C
• Boiling Point: 495.4°C at 760 mmHg
• Flash Point: 204.6°C
• PSA: 124.29000
• Density: 1.532g/cm³
• LogP: -3.19650
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 208.05830272
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C(C(C(CO)O)O)O
• Isomeric SMILES: COC(=O)C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O

Technology Process of D-arabino-2-Hexulosonic acid, methyl ester

There total 4 articles about D-arabino-2-Hexulosonic acid, methyl ester 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:

methanol (67-56-1) + D-glucono-1,4-lactone (1198-69-2) → D-arabino-[2]hexulosonic acid methyl ester (21063-40-1)

Guidance literature:

With sodium chlorate; phosphoric acid; vanadia;

DOI:10.1021/ja01230a027

Reference yield:

methanol (67-56-1) → D-arabino-[2]hexulosonic acid methyl ester (21063-40-1)

Guidance literature:

With hydrogenchloride; sulfuric acid;

Reference yield:

methanol (67-56-1) + fructonic acid (669-90-9,16533-48-5,29123-55-5,20248-27-5) → D-arabino-[2]hexulosonic acid methyl ester (21063-40-1)

Guidance literature:

With hydrogenchloride; dimethylsulfite;

upstream raw materials:

methanol

fructonic acid

D-glucono-1,4-lactone

Downstream raw materials:

isoascorbic acid