methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

Base Information

• Chemical Name: methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
• CAS No.: 16048-08-1
• Molecular Formula: C₇H₁₂O₇
• Molecular Weight: 208.168
• DSSTox Substance ID: DTXSID20369545
• Mol file: 16048-08-1.mol

Synonyms:methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate;SCHEMBL7154268;DTXSID20369545;CCG-251223;J-100173

Chemical Property of methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

Chemical Property:

• Melting Point: 147 °C
• Boiling Point: 371.974°C at 760 mmHg
• PKA: 12.09±0.20(Predicted)
• Flash Point: 152.649°C
• PSA: 116.45000
• Density: 1.692g/cm3
• LogP: -3.04070
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 208.05830272
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

D-Galacturonic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C(C(C(C(O1)O)O)O)O
• Isomeric SMILES: COC(=O)[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O

Technology Process of methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

There total 1 articles about methyl (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate 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-galacturonic acid (685-73-4,25249-06-3,25990-10-7,36562-70-6,36655-86-4) + diazomethyl-trimethyl-silane (18107-18-1) → D-galacturonic acid methyl ester (16048-08-1)

Guidance literature:

In methanol; diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1021/acs.jafc.5b01121

upstream raw materials:

D-galacturonic acid

diazomethyl-trimethyl-silane

Refernces