Skip to the beginning of the images gallery

tert-butyl 2-chloro-5,6,7,8-tetrahydro-1,7-naphthyridine-7-carboxylate - 97%, high purity , CAS No.1211581-54-2

COA

Grade & Purity:

≥97%

Cas Number: 1211581-54-2
Molecular Weight: 268.74
PubChem CID: 77231349

In stock

Item Number

T627417

Grouped product items
SKU	Size	Availability	Price
T627417-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$278.90
T627417-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$445.90
T627417-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$743.90
T627417-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,339.90

Basic Description

Synonyms	1211581-54-2 \| tert-butyl 2-chloro-5,6-dihydro-1,7-naphthyridine-7(8H)-carboxylate \| tert-butyl 2-chloro-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxylate \| tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate \| SCHEMBL12540273 \| MFCD18261579
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Naphthyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Naphthyridines
Intermediate Tree Nodes	Not available
Direct Parent	Naphthyridine carboxylic acids and derivatives
Alternative Parents	2-halopyridines Aryl chlorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms 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 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
INCHI	InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-6-9-4-5-11(14)15-10(9)8-16/h4-5H,6-8H2,1-3H3
InChIKey	IVFOIKREOFXIDR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C=C2)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C=C2)Cl
PubChem CID	77231349
Molecular Weight	268.74

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	268.740 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	268.098 Da
Monoisotopic Mass	268.098 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	317.000
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