Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-

Base Information

• Chemical Name: Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-
• CAS No.: 2957-09-7
• Molecular Formula: C5H8O6
• Molecular Weight: 164.1134
• DSSTox Substance ID: DTXSID20183743
• Wikidata: Q77386926
• Metabolomics Workbench ID: 111514
• Mol file: 2957-09-7.mol

Synonyms:itatartaric acid;2-Hydroxy-2-(hydroxymethyl)butanedioic acid;Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-;2957-09-7;(2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid;SCHEMBL9930076;DTXSID20183743;CHEBI:189177

Chemical Property of Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-

Chemical Property:

• Vapor Pressure: 1.09E-08mmHg at 25°C
• Melting Point: 86-88 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 416.7°Cat760mmHg
• PKA: 3.18±0.28(Predicted)
• Flash Point: 220°C
• PSA: 115.06000
• Density: 1.72g/cm³
• LogP: -1.73090
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 164.03208797
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-

There total 10 articles about Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)- 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:

2-hydroxy-3-O-trans-p-coumaroyl-1,2-propanedicarboxylic acid → 2,3-dihydroxy-1,2-propanedicarboxylic acid (2957-09-7)

Guidance literature:

With sodium hydroxide; at 90 ℃; for 0.5h;

DOI:10.1016/0031-9422(81)83095-6

Reference yield:

→ 2,3-dihydroxy-1,2-propanedicarboxylic acid (2957-09-7)

Guidance literature:

With hypochloric acid;

Reference yield:

→ 2,3-dihydroxy-1,2-propanedicarboxylic acid (2957-09-7)

Guidance literature:

With silver(l) oxide;

upstream raw materials:

2-methylenesuccinic acid

2-bromo-2-(bromomethyl)succinic acid

water

glucose

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