tert-butyl (7S)-7-methyl-1,4-diazepane-1-carboxylate - ≥97% , CAS No.1638744-15-6

CAS: 1638744-15-6 Cat. No.: T629983 Molecular Weight: 214.3

GRADE & PURITY ≥97%

Synonyms

1638744-15-6 | (S)-4-Boc-5-methyl-1,4-diazepane | tert-Butyl (7S)-7-methyl-1,4-diazepane-1-carboxylate | (S)-tert-Butyl 7-methyl-1,4-diazepane-1-carboxylate | MFCD27986953 | P14261 | (S)-tert-Butyl7-methyl-1,4-diazepane-1-carboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1638744-15-6 | (S)-4-Boc-5-methyl-1, 4-diazepane | tert-Butyl (7S)-7-methyl-1, 4-diazepane-1-carboxylate | (S)-tert-Butyl 7-methyl-1, 4-diazepane-1-carboxylate | MFCD27986953 | P14261 | (S)-tert-Butyl7-methyl-1, 4-diazepane-1-carboxylate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CCNCCN1C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl (7S)-7-methyl-1,4-diazepane-1-carboxylate
• InChIKey: DUYDMHWWVXLFDB-VIFPVBQESA-N
• INCHI: 1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
• Molecular Weight: 214.3
• Reaxy-Rn: 10660808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10660808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazepanes
• Subclass: 1,4-diazepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-diazepanes
• Alternative Parents: Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-diazepane - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane 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