tert-butyl 3-(2,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate - ≥97% , CAS No.1482460-15-0

CAS: 1482460-15-0 Cat. No.: T629404 Molecular Weight: 285.29 PubChem CID: 65918802

GRADE & PURITY ≥97%

Synonyms

1482460-15-0 | tert-butyl 3-(2,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate | MFCD30802683 | AKOS015260468 | SB22397 | BS-43192 | P19471 | 1-Boc-3-(2,4-difluorophenyl)-3-hydroxyazetidine | t-Butyl 3-(2,4-difluorophenyl)-3-hydroxyazetidine-1-carboxyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1482460-15-0 | tert-butyl 3-(2, 4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate | MFCD30802683 | AKOS015260468 | SB22397 | BS-43192 | P19471 | 1-Boc-3-(2, 4-difluorophenyl)-3-hydroxyazetidine | t-Butyl 3-(2, 4-difluorophenyl)-3-hydroxyazetidine-1-carboxyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(C1)(C2=C(C=C(C=C2)F)F)O
• IUPAC Name: tert-butyl 3-(2,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate
• InChIKey: RYVHVARAUOJCMU-UHFFFAOYSA-N
• INCHI: 1S/C14H17F2NO3/c1-13(2,3)20-12(18)17-7-14(19,8-17)10-5-4-9(15)6-11(10)16/h4-6,19H,7-8H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC(C1)(C2=C(C=C(C=C2)F)F)O
• PubChem CID: 65918802
• Molecular Weight: 285.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines
      • Subclass Phenylazetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Phenylazetidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazetidines
• Alternative Parents: Fluorobenzenes Azetidinecarboxylic acids Aryl fluorides Tertiary alcohols Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylazetidine - Azetidinecarboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carbamic acid ester - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine 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

• Molecular Weight: 285.290 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 285.118 Da
• Monoisotopic Mass: 285.118 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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