tert-butyl 3-hydroxy-3-[2-(trifluoromethyl)phenyl]azetidine-1-carboxylate - ≥97% , CAS No.1609671-83-1

CAS: 1609671-83-1 Cat. No.: T637706 Molecular Weight: 317.3 PubChem CID: 103696011

GRADE & PURITY ≥97%

Synonyms

1609671-83-1 | tert-butyl 3-hydroxy-3-[2-(trifluoromethyl)phenyl]azetidine-1-carboxylate | tert-Butyl 3-hydroxy-3-(2-(trifluoromethyl)phenyl)azetidine-1-carboxylate | starbld0045851 | MFCD32661389 | AS-79251 | P20830 | 1-Boc-3-hydroxy-3-[2-(trifluoromethy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1609671-83-1 | tert-butyl 3-hydroxy-3-[2-(trifluoromethyl)phenyl]azetidine-1-carboxylate | tert-Butyl 3-hydroxy-3-(2-(trifluoromethyl)phenyl)azetidine-1-carboxylate | starbld0045851 | MFCD32661389 | AS-79251 | P20830 | 1-Boc-3-hydroxy-3-[2-(trifluoromethy

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC=C2C(F)(F)F)O
• IUPAC Name: tert-butyl 3-hydroxy-3-[2-(trifluoromethyl)phenyl]azetidine-1-carboxylate
• InChIKey: WWVMVHGRNQQQCV-UHFFFAOYSA-N
• INCHI: 1S/C15H18F3NO3/c1-13(2,3)22-12(20)19-8-14(21,9-19)10-6-4-5-7-11(10)15(16,17)18/h4-7,21H,8-9H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC=C2C(F)(F)F)O
• PubChem CID: 103696011
• Molecular Weight: 317.3

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: Trifluoromethylbenzenes Azetidinecarboxylic acids Tertiary alcohols Carbamate esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylazetidine - Trifluoromethylbenzene - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carbamic acid ester - Azacycle - Organopnictogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Alkyl halide - Organic oxide - 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