(3R,4S)-3-Hydroxy-4-phenylazetidin-2-one - ≥98% , CAS No.132127-34-5

CAS: 132127-34-5 Cat. No.: R302386 Molecular Weight: 163.176 EC Number: 833-742-6 PubChem CID: 10219589

GRADE & PURITY ≥98%

Synonyms

H1656 | (3R,4S)-3-Hydroxy-4-phenylazetidin-2-one | MFCD07368374 | (3R-cis)-3-Hydroxy-4-phenyl-2-azetidinone | AMY16033 | FBZSDKXFQUKDLD-JGVFFNPUSA-N | (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone | 2-Azetidinone, 3-hydroxy-4-phenyl-, (3R,4S)- | J-501264 | DS-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

H1656 | (3R, 4S)-3-Hydroxy-4-phenylazetidin-2-one | MFCD07368374 | (3R-cis)-3-Hydroxy-4-phenyl-2-azetidinone | AMY16033 | FBZSDKXFQUKDLD-JGVFFNPUSA-N | (3R, 4S)-3-Hydroxy-4-phenyl-2-azetidinone | 2-Azetidinone, 3-hydroxy-4-phenyl-, (3R, 4S)- | J-501264 | DS-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765332
• Canonical Smiles: C1=CC=C(C=C1)C2C(C(=O)N2)O
• IUPAC Name: (3R,4S)-3-hydroxy-4-phenylazetidin-2-one
• InChIKey: FBZSDKXFQUKDLD-JGVFFNPUSA-N
• INCHI: 1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)O
• PubChem CID: 10219589
• Molecular Weight: 163.176

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Phenylazetidines Benzene and substituted derivatives Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monobactam - 2-phenylazetidine - Monocyclic benzene moiety - Benzenoid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Specific Rotation[α]: [α]D:184° (C=1,MeOH)
• Boil Point(°C): 430.414°C
• Melt Point(°C): 187-188°C
• Molecular Weight: 163.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• 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