Skip to the beginning of the images gallery

7-Bromo-6-nitro-n-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline - 95%, high purity , CAS No.186390-63-6

COA

Grade & Purity:

≥95%

Cas Number: 186390-63-6
Molecular Weight: 357.2
PubChem CID: 54287293

In stock

Item Number

B182316

Grouped product items
SKU	Size	Availability	Price	Qty
B182316-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Basic Description

Synonyms	186390-63-6 \| 7-BROMO-6-NITRO-N-TERT-BUTOXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE \| SCHEMBL6966573 \| RVAPXPOTRYDTJS-UHFFFAOYSA-N \| DTXSID901143882 \| MFCD20486964 \| SY340563 \| CS-0448982 \| A907753 \| 7-Bromo-2-Boc-6-nitro-1,2,3,4-tetrahydroisoquinoline \| Tert-butyl 7-bromo-6-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Triarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Triarylamines
Alternative Parents	Tetrahydroisoquinolines Piperidinecarboxylic acids Nitroaromatic compounds Benzenoids Carbamate esters Trialkylamines Organic carbonic acids and derivatives Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tertiary aromatic amine - Tetrahydroisoquinoline - Piperidinecarboxylic acid - Nitroaromatic compound - Benzenoid - Piperidine - Carbamic acid ester - Organic nitro compound - Tertiary aliphatic amine - Carbonic acid derivative - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
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-6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
INCHI	InChI=1S/C14H17BrN2O4/c1-14(2,3)21-13(18)16-5-4-9-7-12(17(19)20)11(15)6-10(9)8-16/h6-7H,4-5,8H2,1-3H3
InChIKey	RVAPXPOTRYDTJS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)Br)[N+](=O)[O-]
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)Br)[N+](=O)[O-]
Molecular Weight	357.2
Reaxy-Rn	13491221
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13491221&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	357.200 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	356.037 Da
Monoisotopic Mass	356.037 Da
Topological Polar Surface Area	75.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	418.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration