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1-BOC-7-Bromo-3,4-dihydro-2H-quinoline - 95%, high purity , CAS No.1187932-64-4

COA

Grade & Purity:

≥95%

Cas Number: 1187932-64-4
Molecular Weight: 312.2
PubChem CID: 56776933

In stock

Item Number

B179976

Grouped product items
SKU	Size	Availability	Price
B179976-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$114.90
B179976-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90
B179976-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$915.90

Basic Description

Synonyms	1187932-64-4 \| tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate \| 1-BOC-7-Bromo-3,4-dihydro-2H-quinoline \| 1-Boc-7-bromo-1,2,3,4-tetrahydro-quinoline \| tert-butyl 7-bromo-3,4-dihydro-2H-quinoline-1-carboxylate \| N-BOC-7-BROMO-3,4-DIHYDROQUINOLINE \| SCHEMBL59
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Hydroquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Hydroquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolines
Alternative Parents	Benzenoids Aryl bromides Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinoline - Aryl bromide - Aryl halide - Benzenoid - Carbamic acid ester - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
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 7-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
INCHI	InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-4-5-10-6-7-11(15)9-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKey	JOJRQDHTJFLVJZ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCCC2=C1C=C(C=C2)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCC2=C1C=C(C=C2)Br
Molecular Weight	312.2
Reaxy-Rn	27007013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27007013&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	312.200 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	311.052 Da
Monoisotopic Mass	311.052 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	313.000
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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