1-BOC-4-(3-bromophenoxy)piperidine - ≥95% , CAS No.790667-54-8

CAS: 790667-54-8 Cat. No.: B186645 Summenformel: C₁₆H₂₂BrNO₃ Molekulargewicht: 356.3 EG-Nummer: 800-570-8

GRADE & PURITY ≥95%

Synonyms

FT-0758445 | 1-BOC-4-(3-bromophenoxy)piperidine | BS-25941 | SY024867 | tert-Butyl 4-(3-bromophenoxy)-piperidine-1-carboxylate | tert-Butyl 4-(3-bromophenoxy)piperidine-1-carboxylate | tert-butyl 4-(3-bromophenoxyl)piperidine-1-carboxylate | AKOS015837069

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0758445 | 1-BOC-4-(3-bromophenoxy)piperidine | BS-25941 | SY024867 | tert-Butyl 4-(3-bromophenoxy)-piperidine-1-carboxylate | tert-Butyl 4-(3-bromophenoxy)piperidine-1-carboxylate | tert-butyl 4-(3-bromophenoxyl)piperidine-1-carboxylate | AKOS015837069

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
• IUPAC Name: tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate
• InChIKey: OFMHYHKXBMYVPZ-UHFFFAOYSA-N
• INCHI: 1S/C16H22BrNO3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)20-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10H2,1-3H3
• Isomere SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
• Molekulargewicht: 356.3
• Reaxy-Rn: 14329163
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14329163&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 356.250 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 355.078 Da
• Monoisotopic Mass: 355.078 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 348.000
• 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