benzyl N-[1-(5-chloropyrimidin-2-yl)cyclopropyl]carbamate - ≥97% , CAS No.1422356-97-5

CAS: 1422356-97-5 Cat. No.: B629078 Molecular Weight: 303.74 PubChem CID: 71262930

GRADE & PURITY ≥97%

Synonyms

1422356-97-5 | benzyl N-[1-(5-chloropyrimidin-2-yl)cyclopropyl]carbamate | SCHEMBL14705997 | FT-0734074 | F89136

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1422356-97-5 | benzyl N-[1-(5-chloropyrimidin-2-yl)cyclopropyl]carbamate | SCHEMBL14705997 | FT-0734074 | F89136

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC1(C2=NC=C(C=N2)Cl)NC(=O)OCC3=CC=CC=C3
• IUPAC Name: benzyl N-[1-(5-chloropyrimidin-2-yl)cyclopropyl]carbamate
• InChIKey: UXIIQASRDGKQGL-UHFFFAOYSA-N
• INCHI: 1S/C15H14ClN3O2/c16-12-8-17-13(18-9-12)15(6-7-15)19-14(20)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)
• Isomeric SMILES: C1CC1(C2=NC=C(C=N2)Cl)NC(=O)OCC3=CC=CC=C3
• PubChem CID: 71262930
• Molecular Weight: 303.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Halopyrimidines Aryl chlorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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