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

  • CAS No. 679392-23-5

  • Cat. No. CS-0131622
  • Purity≥97%
  • MDL No.MFCD16036500

*For research and further manufacturing use only, not for direct human use.

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

Structure of 679392-23-5

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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

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.

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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Computational Chemistry Data

  • TPSA   42.43
  • LogP   3.4227
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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