2,3,4-Trihydroxypentanedioic acid

Base Information

• Chemical Name: 2,3,4-Trihydroxypentanedioic acid
• CAS No.: 488-31-3
• Molecular Formula: C₅H₈O₇
• Molecular Weight: 180.114
• European Community (EC) Number: 229-749-3
• NSC Number: 287981
• UNII: RTU7SUL664
• DSSTox Substance ID: DTXSID00964118
• Nikkaji Number: J134.627J
• Mol file: 488-31-3.mol

Synonyms:pentaric acid;2,3,4-trihydroxypentanedioic acid;Ribaric acid;Arabinaric acid;488-31-3;33012-62-3;2,3,4-trihydroxyglutaric acid;DL-Trihydroxyglutaric acid;RTU7SUL664;2,3,4-trihydroxy-pentanedioic acid;6703-05-5;UNII-RTU7SUL664;Oprea1_368450;TrihydroxyglutarsA currencyure;SCHEMBL110957;DTXSID00964118;EINECS 229-749-3;BBL010728;MFCD00464515;NSC287981;STK531008;AKOS005463290;NSC-287981;VS-02647;FT-0754489;GLUTARIC ACID, .ALPHA.,.BETA.,.GAMMA.-TRIHYDROXY-

Chemical Property of 2,3,4-Trihydroxypentanedioic acid

Chemical Property:

• PSA: 135.29000
• LogP: -2.76170
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 180.02700259
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)O)(C(C(=O)O)O)O
• Uses: Pentaric Acid (cas# 33012-62-3) is used as a modifier in the microstructure for transcutaneous and intracutaneous drug delivery of cyclosporinA.

Technology Process of 2,3,4-Trihydroxypentanedioic acid

There total 65 articles about 2,3,4-Trihydroxypentanedioic 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: 49.67%

D-xylose (58-86-6) → xylaric acid (488-31-3,608-54-8,608-55-9,6703-05-5,10158-64-2,20869-04-9,33012-62-3) + disodium 2,2,3,3-tetrahydroxybutane-1,4-dioate (866-17-1,51083-10-4)

Guidance literature:

With oxygen; nitric acid; sodium nitrite; In water; at 35 ℃; for 4.5h;

DOI:10.1080/07328303.2012.745550

Reference yield:

5-keto-D-gluconic acid (5287-64-9) + nitric acid (7697-37-2,78989-43-2) → DL-tartaric acid (133-37-9,138508-61-9) + xylaric acid (488-31-3,608-54-8,608-55-9,6703-05-5,10158-64-2,20869-04-9,33012-62-3) + 2,2-bis(hydroxyl)methylpropionic acid (55833-34-6) + Glyoxilic acid (298-12-4)

Guidance literature:

Reference yield:

D-xylose (58-86-6) → D-xylonic acid (488-30-2,526-91-0,526-92-1,608-53-7,642-98-8,4172-43-4,4172-44-5,13171-74-9,13752-83-5,17812-24-7,17828-56-7,20663-19-8,28223-40-7) + xylaric acid (488-31-3,608-54-8,608-55-9,6703-05-5,10158-64-2,20869-04-9,33012-62-3)

Guidance literature:

With platinum on carbon; oxygen; In water; at 80 ℃; under 10501.1 Torr; pH=2.5;

DOI:10.1002/cssc.201800494

upstream raw materials:

Mucin

Reactive blue 19 alcohol

2,3,4,5,6-pentahydroxy-hexanal

D-gluconic acid

Downstream raw materials:

dl-trioxyglutaric acid

cis-cyclohexane-1,2-diamine

1,5-pentanedioic acid

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