4,4-Difluoro-L-prolinamide hydrochloride - ≥97% , CAS No.426844-51-1

CAS: 426844-51-1 Cat. No.: D170309 Peso molecular: 186.59 Número EC: 670-268-7

GRADE & PURITY ≥97%

Synonyms

DTXSID70669800 | (2S)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE | 4,4-Difluoro-L-prolinamide--hydrogen chloride (1/1) | (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride | AKOS016844203 | 4,4-Difluoro-l-prolinamide HCl | (S)-4,4-Difluorop

Storage

Room temperature

Shipped In

Normal

Descripción general

 Product Application：
4,4-Difluoro-L-prolinamide hydrochloride can be used as a building block in the synthesis of cyanopyrrolidine based DPP-IV inhibitors.

Specifications

Sinónimos

DTXSID70669800 | (2S)-4, 4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE | 4, 4-Difluoro-L-prolinamide--hydrogen chloride (1/1) | (2S)-4, 4-difluoropyrrolidine-2-carboxamide;hydrochloride | AKOS016844203 | 4, 4-Difluoro-l-prolinamide HCl | (S)-4, 4-Difluorop

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201159
• Sonrisas canónicas: C1C(NCC1(F)F)C(=O)N.Cl
• IUPAC Name: (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
• InChIKey: RRQDQYAEZGKHOB-DFWYDOINSA-N
• INCHI: 1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
• Isómeros SMILES: C1[C@H](NCC1(F)F)C(=O)N.Cl
• WGK Alemania: 3
• CAS alternativo: 719267-96-6（Free Base）
• Peso molecular: 186.59
• Reaxy-Rn: 46884169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46884169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Pyrrolidinecarboxamides Primary carboxylic acid amides Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Hydrochloride - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Rotación específica [α]: [α]/D −23±5°, c = 0.5 in H2O
• Punto de fusión (°C): 221 - 226 °C
• Peso molecular: 186.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.037 Da
• Monoisotopic Mass: 186.037 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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