1-BOC-4-(4-bromophenoxy)piperidine - ≥97% , CAS No.308386-38-1

CAS: 308386-38-1 Cat. No.: B183579 Formule: C₁₆H₂₂BrNO₃ Poids moléculaire: 356.3

GRADE & PURITY ≥97%

Synonyms

DTXSID40674648 | MFCD11053889 | SCHEMBL2366151 | tert-Butyl 4-(4-bromo-phenoxy)piperidine-1-carboxylate | tert-butyl 4-(4-bromophenoxy)piperidine-1-carboxylate | A876080 | AS-37116 | 1,1-dimethylethyl 4-[(4-bromophenyl)-oxy]-1-piperidinecarboxylate | 1,1-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID40674648 | MFCD11053889 | SCHEMBL2366151 | tert-Butyl 4-(4-bromo-phenoxy)piperidine-1-carboxylate | tert-butyl 4-(4-bromophenoxy)piperidine-1-carboxylate | A876080 | AS-37116 | 1,1-dimethylethyl 4-[(4-bromophenyl)-oxy]-1-piperidinecarboxylate | 1,1-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)Br
• IUPAC Name: tert-butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
• InChIKey: COZKMQIFQZKKBR-UHFFFAOYSA-N
• INCHI: 1S/C16H22BrNO3/c1-16(2,3)21-15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3
• Isomères SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)Br
• Poids moléculaire: 356.3
• Reaxy-Rn: 15414745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15414745&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Tertiary amines Azacyclic 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 - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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: 340.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 308386-38-1, the molecular formula is C16H22BrNO3, and the molecular weight is 356.3 g/mol. InChIKey COZKMQIFQZKKBR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.