2-[(2R)-1-tert-butoxycarbonyl-4,4-difluoro-pyrrolidin-2-yl]acetic acid - ≥97% , CAS No.1402687-79-9

CAS: 1402687-79-9 Cat. No.: A628932 Molecular Weight: 265.25 EC Number: 882-773-1 PubChem CID: 86704457

GRADE & PURITY ≥97%

Synonyms

1402687-79-9 | (2R)-1-[(1,1-Dimethylethoxy)carbonyl]-4,4-difluoro-2-pyrrolidineacetic | 2-((R)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)acetic acid | SCHEMBL15321298 | MFCD29077386 | AT26276 | EN300-21647909 | (R)-2-(1-(t-Butoxycarbonyl)-4,4-di

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1402687-79-9 | (2R)-1-[(1, 1-Dimethylethoxy)carbonyl]-4, 4-difluoro-2-pyrrolidineacetic | 2-((R)-1-(tert-butoxycarbonyl)-4, 4-difluoropyrrolidin-2-yl)acetic acid | SCHEMBL15321298 | MFCD29077386 | AT26276 | EN300-21647909 | (R)-2-(1-(t-Butoxycarbonyl)-4, 4-di

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(CC1CC(=O)O)(F)F
• IUPAC Name: 2-[(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
• InChIKey: GWUHHGKTSJCZQO-SSDOTTSWSA-N
• INCHI: 1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-6-11(12,13)5-7(14)4-8(15)16/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC(C[C@H]1CC(=O)O)(F)F
• PubChem CID: 86704457
• Molecular Weight: 265.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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