(-)-Di-p-anisoyl-L-tartaric Acid - ≥97% , CAS No.50583-51-2

CAS: 50583-51-2 Cat. No.: D119732 Molecular Weight: 418.35 Beilstein Registry Number: 10(3)326 EC Number: 672-585-6

GRADE & PURITY ≥97%

Synonyms

D3491 | MFCD02682986 | (-)-Di-p-anisoyl-L-tartaric Acid | (2R,3R)-2,3-Bis((4-methoxybenzoyl)oxy)succinic acid | AC-3425 | L-(-)-Dianisoyl-tartaric acid | EN300-7366476 | Di-(p-Methoxybenzoyl)-L-(-)-Tartaric Acid | Di-p-anisoyl-L-tartaric acid | (2R,3R)-2,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D3491 | MFCD02682986 | (-)-Di-p-anisoyl-L-tartaric Acid | (2R, 3R)-2, 3-Bis((4-methoxybenzoyl)oxy)succinic acid | AC-3425 | L-(-)-Dianisoyl-tartaric acid | EN300-7366476 | Di-(p-Methoxybenzoyl)-L-(-)-Tartaric Acid | Di-p-anisoyl-L-tartaric acid | (2R, 3R)-2,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766657
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766657
• Canonical Smiles: COC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)OC)C(=O)O
• IUPAC Name: (2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid
• InChIKey: KWWCVCFQHGKOMI-HZPDHXFCSA-N
• INCHI: 1S/C20H18O10/c1-27-13-7-3-11(4-8-13)19(25)29-15(17(21)22)16(18(23)24)30-20(26)12-5-9-14(28-2)10-6-12/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)OC)C(=O)O
• Molecular Weight: 418.35
• Beilstein: 10(3)326
• Reaxy-Rn: 3501567
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3501567&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Monosaccharide - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Carboxylic acid - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Specific Rotation[α]: -168° (C=1,EtOH)
• Molecular Weight: 418.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 418.09 Da
• Monoisotopic Mass: 418.09 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 563.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Chen Chen, Yangfeng Peng, Yongming Wei, Mengyuan Liu, Yu Wang, Siqi Xiong, Huiyi Li, Quan He.  (2024)  New methods for resolution of hydroxychloroquine by forming diastereomeric salt and adding chiral mobile phase agent on RP-HPLC.  CHIRALITY,  36  (5): (e23672).  [PMID:38693625] [10.1002/chir.23672]