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3-Oxopentanedioic acid

3-Oxopentanedioic acid structure

3-Oxopentanedioic acid 

structure
  • CAS No:

    542-05-2

  • Formula:

    C5H6O5

  • Chemical Name:

    3-Oxopentanedioic acid

  • Synonyms:

    Pentanedioic acid,3-oxo-;Glutaric acid,3-oxo-;Glutaric acid,β-oxo-;3-Oxopentanedioic acid;s-Acetonedicarboxylic acid;β-Ketoglutaric acid;3-Oxoglutaric acid;Acetone-1,3-dicarboxylic acid;1,3-Dicarboxyacetone;β-Oxoglutaric acid;3-Ketoglutaric acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

3-Oxopentanedioic acid is a simple dicarboxylic acid, which is well-known to be used in the tropinone synthesis.


Solid


3-Oxoglutaric acid is an oxo carboxylic acid.

3-Oxopentanedioic acid Basic Attributes

146.1

146.10

1447081

208-797-9

IH7P7WO21P

DTXSID2060252

29183000

Characteristics

91.7

-0.7

White Crystalline Powder

1.5±0.1 g/cm3

138 °C (decomp)

408.4°C at 760 mmHg

214.9±21.1 °C

1.494

H2O: soluble

2-8°C

Safety Information

NONH for all modes of transport

3

44-36/37/38

22-24/25-37/39-26-36

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 15 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Oxopentanedioic acid Use and Manufacturing

Methods of Manufacturing

It is prepared by taking citric acid as raw material and removing formic acid in the presence of concentrated sulfuric acid. In the industrial process, first put fuming sulfuric acid into the reaction tank, and when cooling to below 50℃, add citric acid in portions under stirring. The weight proportioning ratio is citric acid: fuming sulfuric acid 1: 2.34. After the addition is completed, the temperature is raised to 40-45°C, and the temperature is kept for 3h, then the temperature is lowered to below 10°C, and normal water is added dropwise (incubation below 40°C), and then cooled At about 15℃, centrifuge, rinse with ice water, and spin dry to get the finished product.

Uses

In organic synthesis.

Pentanedioic acid, 3-oxo-: ACTIVE

Computed Properties

Molecular Weight:146.10
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:146.02152329
Monoisotopic Mass:146.02152329
Topological Polar Surface Area:91.7
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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