tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

Name: tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
Brand: ChemScene
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CAS No. 679392-23-5
Cat. No. CS-0131622
Purity≥97%
MDL No.MFCD16036500

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tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate|CS-0131622

Structure of 679392-23-5

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Description

tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate features a sterically hindered tert-butyl ester protecting group and a chlorine-substituted naphthyridine core. This bench-stable scaffold integrates readily into synthetic routes for bioactive heterocycles, offering enhanced solubility and compatibility in multi-step transformations.

Application

tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate serves as a versatile building block for constructing naphthyridine-based scaffolds in medicinal chemistry. The chloro substituent enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester group offers stability and convenient deprotection under mild acidic conditions. Its compatibility with diverse functional groups and robust performance in standard synthetic workflows make it ideal for rapid library synthesis and API development.

General Information

CAS No. 679392-23-5
Cat. No. CS-0131622
Purity ≥97%
MDL No. MFCD16036500
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇ClN₂O₂
Molecular Weight 268.74
Synonym(s) 1,8-Naphthyridine-1(2H)-carboxylic acid, 7-chloro-3,4-dihydro-, 1,1-dimethylethyl ester
SMILES O=C(N1CCCC2=CC=C(Cl)N=C12)OC(C)(C)C

Computational Chemistry Data

TPSA 42.43
LogP 3.4227
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

CAS No. 679392-23-5

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