CAS 71607-31-3

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

Description:

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-, identified by CAS number 71607-31-3, is a chemical compound characterized by its specific stereochemistry and functional groups. This substance features a butanedioic acid backbone, which is a dicarboxylic acid, indicating the presence of two carboxyl (-COOH) groups. The compound is further modified with two 4-methylbenzoyloxy groups, which are ester functionalities derived from 4-methylbenzoic acid. The presence of these aromatic groups contributes to the compound's potential applications in organic synthesis and materials science. As a hydrate, it contains water molecules in its structure, which can influence its solubility and stability. The (2S,3S) designation indicates the specific stereochemical configuration at the chiral centers, which can affect the compound's reactivity and interaction with biological systems. Overall, this compound's unique structure and properties make it of interest in various chemical research and industrial applications.

Formula: C₂₀H₁₈O₈·H₂O

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

InChI key: InChIKey=FOTRUJUPLHRVNU-MOGJOVFKSA-N

SMILES: [C@@H]([C@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)(OC(=O)C2=CC=C(C)C=C2)C(O)=O.O

Synonyms:

• (-)-Di-p-toluoyl-L-tartaric acid monohydrate
• (2S,3S)-2,3-bis{[(4-methylphenyl)carbonyl]oxy}butanedioic acid hydrate
• Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
• Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, (2S,3S)-
• Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, [S-(R*,R*)]-
• Butanedioic acid, 2,3-dihydroxy-2,3-bis(4-methylbenzoyl)-, hydrate (1:1)
• D(+)-O,O'-di(p-toluoyl)tartaric acid Monohydrate
• D-Dtta(H2O)
• Di-p-methylbenzoyl-D-tartaric acid,monohydrate
• L-Dtta(H2O)
• (+)-Di-p-toluoyl-D-tartaric acid monohydrate

(2S,3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate

CAS: 71607-31-3

Formula: C₂₀H₂₀O₉

Purity: 98%

Color and Shape: Solid

Molecular weight: 404.3674

Ref: IN-DA003PQK

(2S,3S)-(+)-2,3-Bis[(4-methylbenzoyl)oxy]butane-1,4-dioic acid monohydrate

CAS: 71607-31-3

(2S,3S)-(+)-2,3-Bis[(4-methylbenzoyl)oxy]butane-1,4-dioic acid monohydrate

Purity: 98%

Color and Shape: Solid

Molecular weight: 404.37g/mol

Ref: 54-OR54352

Di-p-toluoyl-D-tartaric acid monohydrate

CAS: 71607-31-3

Formula: C₂₀H₂₀O₉

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 404.371

Ref: 10-F011667

Di-p-toluoyl-D-tartaric Acid Monohydrate

Controlled Product

CAS: 71607-31-3

Applications Di-p-toluoyl-d-tartaric Acid Monohydrate is a useful intermediate in the preparation of chiral rivastigmine hydrogen tartrate.
References Feng, J., et al.; Nanfang Yike Daxue Xuebao, 27, 177 (2007)

Formula: C₂₀H₂₀O₉

Color and Shape: White To Off-White

Molecular weight: 404.37

Ref: TR-D494388