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Home > Encyclopedia > 7-Chloro-1H-[1,8]naphthyridin-2-one

7-Chloro-1H-[1,8]naphthyridin-2-one

7-Chloro-1H-[1,8]naphthyridin-2-one structure

7-Chloro-1H-[1,8]naphthyridin-2-one 

structure
  • CAS No:

    15944-34-0

  • Formula:

    C8H5ClN2O

  • Chemical Name:

    7-Chloro-1H-[1,8]naphthyridin-2-one

  • Synonyms:

    1,8-Naphthyridin-2(1H)-one,7-chloro-;1,8-Naphthyridin-2-ol,7-chloro-;7-Chloro-1,8-naphthyridin-2(1H)-one;7-Chloro-1H-[1,8]naphthyridin-2-one;7-Chloro-1,2-dihydro-1,8-naphthyridin-2-one

7-Chloro-1H-[1,8]naphthyridin-2-one Basic Attributes

180.5911

180.59

DTXSID10535797

2933990090

Characteristics

42

1.6

1.5

255-257 °C @ Solvent: Ethanol

379.4±44.0 °C(Predicted)

196.9±27.3 °C

1.710

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

7-Chloro-1H-[1,8]naphthyridin-2-one Use and Manufacturing

Intermediate tert-butyl 3-[6-chloro-2-(2, 2-dimethylpropanamido)pyridin-3-yl]-3-hydroxypropanoate (4 g, 11 mmol) was dissolved in 1 M HCI/dioxane 1:1(50 mL) and ref luxed overnight. Ice was added to the mixture and the resulting solid was filtered and dried to afford the title product (1.7g, 9.4 mmol, 86percent yield), that was used without any further purification. LC-MS (M-H) = 181.1Intermediate tert-butyl 3-[6-chloro-2-(2, 2-dimethylpropanamido)pyridin-3-yl]-3-hydroxypropanoate (4 g, 11 mmol) was dissolved in 1 M HCI/dioxane 1:1(50 mL) and ref luxed overnight. Ice was added to the mixture and the resulting solid was filtered and dried to afford the title product (1.7g, 9.4 mmol, 86percent yield), that was used without any further purification. LC-MS (M-H) = 181.1

Computed Properties

Molecular Weight:180.59
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:180.0090405
Monoisotopic Mass:180.0090405
Topological Polar Surface Area:42
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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