(2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) | CAS No. 71607-32-4

(2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1)

Basic Information

CAS Number

71607-32-4

Molecular Formula

C20H20O9

Molecular Weight

404.37 g/mol

AD

Basic Physical Properties

Melting Point

163-165 ºC

Boiling Point

686 °C at 760 mmHg

Flash Point

368.7 °C

Specific Rotation

140 º (c=1, MeoH)

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.O

InChI

InChI=1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m0./s1

InChIKey

FOTRUJUPLHRVNU-MOGJOVFKSA-N

LogP

1.3989399999999994

Topological Polar Surface Area

158.70000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

533

Synonyms & References

English

  • Di-p-toluoyl-L-tartaricacidmonohydrate
  • Di-p-Toluoyl-L-tartaric acid monohydrate
  • FS-3921
  • DI-P-TOLUOYL-D-TRATARIC ACID MONOHYDRATE
  • AC-3429
  • W-104517
  • AM81408
  • CS-0153080
  • 32634-66-5
  • 71607-32-4
  • (2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate
  • C20H20O9
  • MFCD00151034
  • (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;hydrate
  • AKOS016842298
  • SCHEMBL3859934
  • (2S,3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate
  • Di-p-toluoyl-L-tartaric acid monohydrate
  • DI-P-TOLUOYL-D-TARTARIC ACID MONOHYDRATE
  • Di-p-toluoyl-L-tartaric acid
  • Butanedioicacid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, (2R,3R)- (9CI)
  • Butanedioicacid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, [R-(R*,R*)]-

MDL Number

MFCD00064440

FAQ

What is (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) (CAS: 71607-32-4)?

The compound (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1), with CAS number 71607-32-4, is a diester of succinic acid. It contains two (4-methylbenzoyl)oxy groups attached to the succinic acid backbone and is known to exist in a 1:1 hydration ratio. This compound is typically used in specialized chemical applications due to its unique structural properties and potential for forming complexes with metal ions.

What are the main uses of (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) (CAS: 71607-32-4)?

The compound (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) is primarily used in pharmaceutical research as a potential ligand for metal complexes. It also finds applications in the synthesis of various derivatives and in industrial processes involving chelation or polymerization. Its use in food and consumer products is limited due to its chemical complexity and potential for non-food-grade applications.

Is (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) (CAS: 71607-32-4) safe?

The safety of (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) depends on its application. In laboratory settings, it should be handled with appropriate protective measures, such as gloves and goggles, due to its potential to cause skin and eye irritation. It is generally not considered toxic in small quantities but should be used in accordance with safety guidelines to ensure proper handling and disposal.

How should (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) (CAS: 71607-32-4) be stored?

To maintain stability, (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid hydrate (1:1) should be stored in a cool, dry place away from direct light. It is typically kept in a sealed container at a temperature below 25°C and humidity levels below 60%. Proper storage conditions help prevent degradation and maintain the compound's integrity for extended use.

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