3-Hydroxy-2-pyrrolidinone - ≥97% , CAS No.15116-68-4

CAS: 15116-68-4 Cat. No.: H486731 Summenformel: C₄H₇NO₂ Molekulargewicht: 101.11 EG-Nummer: 685-984-5

GRADE & PURITY ≥97%

Synonyms

AB29512 | SY067339 | A809127 | MFCD12911759 | EN300-297352 | BCP23316 | 3-Hydroxy-2-pyrrolidinone | AB88860 | a-Hydroxy-?-butyrolactam | FRKGSNOMLIYPSH-UHFFFAOYSA-N | AS-6400 | DS-13043 | FT-0771056 | 3-hydroxypyrrolidin-2-one;3-Hydroxy-2-pyrrolidinone |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Application：

3-Hydroxy-2-pyrrolidinone is used as a potent inhibitor of CDK2/cyclin A. It is also used as pharmaceutical intermediates

Specifications

Synonyme

AB29512 | SY067339 | A809127 | MFCD12911759 | EN300-297352 | BCP23316 | 3-Hydroxy-2-pyrrolidinone | AB88860 | a-Hydroxy-?-butyrolactam | FRKGSNOMLIYPSH-UHFFFAOYSA-N | AS-6400 | DS-13043 | FT-0771056 | 3-hydroxypyrrolidin-2-one;3-Hydroxy-2-pyrrolidinone |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528759180

Kanonisches Lächeln

C1CNC(=O)C1O

IUPAC Name

3-hydroxypyrrolidin-2-one

InChIKey

FRKGSNOMLIYPSH-UHFFFAOYSA-N

INCHI

1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)

Isomere SMILES

C1CNC(=O)C1O

WGK Deutschland

3

Alternative CAS-Nummer

15166-68-4

Molekulargewicht

101.11

Reaxy-Rn

107794

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107794&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive
• Schmelzpunkt (°C): 102-107℃
• Molekulargewicht: 101.100 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.048 Da
• Monoisotopic Mass: 101.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1