2,4-Dihydroxybutanoic acid

Base Information

• Chemical Name: 2,4-Dihydroxybutanoic acid
• CAS No.: 1518-62-3
• Molecular Formula: C4H8 O4
• Molecular Weight: 120.105
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID40862684
• Nikkaji Number: J919.744C
• Wikidata: Q27159094
• Metabolomics Workbench ID: 1502
• Mol file: 1518-62-3.mol

Synonyms:2,4-dihydroxybutyrate;3-deoxytetronic acid

Chemical Property of 2,4-Dihydroxybutanoic acid

Chemical Property:

• Vapor Pressure: 1.65E-08mmHg at 25°C
• Melting Point: 167-169 °C
• Boiling Point: 412°Cat760mmHg
• PKA: 3.71±0.10(Predicted)
• Flash Point: 217.1°C
• PSA: 77.76000
• Density: 1.42g/cm³
• LogP: -1.18570
• Storage Temp.: 2-8°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 120.04225873
• Heavy Atom Count: 8
• Complexity: 80.1

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Dihydroxybutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C(C(=O)O)O

Technology Process of 2,4-Dihydroxybutanoic acid

There total 27 articles about 2,4-Dihydroxybutanoic acid 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-Glucose (2280-44-6) → glycolic Acid (79-14-1) + LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + erythrosone (496-56-0) + 3-deoxyglucosone (82399-12-0) + glyceric acid (473-81-4,118916-26-0) + 2,4-dihydroxybutanoic acid (1518-62-3) + 2,4,5-trihydroxypentanoic acid (50480-12-1,29625-78-3) + xylo-3-deoxy-hexonic acid (87420-95-9) + Glyoxal (131543-46-9,107-22-2) + 3-hydroxy-2-oxo-propionaldehyde (997-10-4) + 4-hydroxy-2-oxobutanal (28119-61-1) + 2,3,4-Trihydroxybutanoic acid (10191-35-2) + 3-deoxypentos-2-ulose + 2-oxopropanal (78-98-8)

Guidance literature:

With water; oxygen; calcium chloride; magnesium chloride; L-histidine; at 121 ℃; for 1h; Product distribution / selectivity;

Reference yield:

D-Fructose (57-48-7,18875-34-8) → formic acid (64-18-6) + glycolic Acid (79-14-1) + LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + 2,4-dihydroxybutanoic acid (1518-62-3) + 3-deoxy-D-ribo-hexonic acid (498-43-1) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With potassium hydroxide; In water; at 78 ℃; for 7h; Product distribution; Mechanism; other var. monosaccharines, effects of hydroxyl ion and monosaccharide concentration, effects of inorganic cations and anions, effects of temperature;

Reference yield:

D-glucose (50-99-7) → formic acid (64-18-6) + glycolic Acid (79-14-1) + LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + D-Fructose (57-48-7,18875-34-8) + 2,4-dihydroxybutanoic acid (1518-62-3) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With potassium hydroxide; Na₂B₂O₇; In water; at 78 ℃; for 0.5h; Rate constant; Product distribution; Mechanism; isomerization equilibrium; degradation to acids; varying time, borate molar ratio from 0.4 to 4.0;

DOI:10.1002/recl.19871060201

upstream raw materials:

D-Fructose

D-Mannose

L-xylose

L-arabinose

Refernces

• 1、 Li, Elaine Yinan,Feather, Milton S.. "The degradation of L-threose at Maillard reaction conditions". . p. 41 - 48. Retrieved 1994.
• 2、 Dusselier, Michiel,Van Wouwe, Pieter,De Smet, Sanne,De Clercq, Rik,Verbelen, Leander,Van Puyvelde, Peter,Du Prez, Filip E.,Sels, Bert F.. "Toward functional polyester building blocks from renewable glycolaldehyde with sn cascade catalysis". . p. 1786 - 1800. Retrieved 2013/09/02.
• 3、 -. "TREATMENT OF SUGAR SOLUTIONS". Page/Page column 12; 13; Sheets 5-8. . Retrieved 2008/06/13.