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

COA

Grade & Purity:

≥95%

Cas Number: 790667-54-8
Molecular Weight: 356.3
PubChem CID: 22492957

In stock

Item Number

B186645

Grouped product items
SKU	Size	Availability	Price
B186645-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
B186645-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$429.90
B186645-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,283.90

Basic Description

Synonyms	790667-54-8 \| 1-BOC-4-(3-bromophenoxy)piperidine \| tert-Butyl 4-(3-bromophenoxy)piperidine-1-carboxylate \| MFCD12026057 \| tert-butyl4-(3-bromophenoxy)piperidine-1-carboxylate \| SCHEMBL1364255 \| DTXSID90626157 \| OFMHYHKXBMYVPZ-UHFFFAOYSA-N \| AKOS015837069 \| BS-25941 \| SY02486
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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
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

Names and Identifiers

IUPAC Name	tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate
INCHI	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
InChIKey	OFMHYHKXBMYVPZ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
Molecular Weight	356.3
Reaxy-Rn	14329163
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14329163&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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