(2R,3R)-2,3-dihydroxybutanedioic acid; (3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-amine - ≥97% , CAS No.1044597-03-6

CAS: 1044597-03-6 Cat. No.: D626651 PubChem CID: 25118723

GRADE & PURITY ≥97%

Synonyms

(R)-6,8-difluorochroman-3-amine (2R,3R)-2,3-dihydroxysuccinate | 1044597-03-6 | SCHEMBL2833743 | D96825 | (R)-6,8-difluorochroman-3-amine(2R,3R)-2,3-dihydroxysuccinate | (2R,3R)-2,3-DIHYDROXYBUTANEDIOIC ACID (3R)-6,8-DIFLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-6, 8-difluorochroman-3-amine (2R, 3R)-2, 3-dihydroxysuccinate | 1044597-03-6 | SCHEMBL2833743 | D96825 | (R)-6, 8-difluorochroman-3-amine(2R, 3R)-2, 3-dihydroxysuccinate | (2R, 3R)-2, 3-DIHYDROXYBUTANEDIOIC ACID (3R)-6, 8-DIFLUORO-3, 4-DIHYDRO-2H-1-BENZOPYRAN-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(COC2=C1C=C(C=C2F)F)N.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
• InChIKey: KFFVIGZTINBPML-NWAAXCJESA-N
• INCHI: 1S/C9H9F2NO.C4H6O6/c10-6-1-5-2-7(12)4-13-9(5)8(11)3-6;5-1(3(7)8)2(6)4(9)10/h1,3,7H,2,4,12H2;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m11/s1
• Isomeric SMILES: C1[C@H](COC2=C1C=C(C=C2F)F)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• PubChem CID: 25118723

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Sugar acids and derivatives Short-chain hydroxy acids and derivatives Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Aryl fluorides Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Secondary alcohols 1,2-diols Carboxylic acids Oxacyclic compounds Carbonyl compounds Organofluorides Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Not available
• Substituents: 1-benzopyran - Alkyl aryl ether - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Fatty acid - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Benzenoid - 1,2-diol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Alcohol - Organooxygen compound - Primary amine - Organofluoride - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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