ChemicalBook--->CAS DataBase List--->39551-54-7

39551-54-7

39551-54-7 Structure

39551-54-7 Structure
IdentificationBack Directory
[Name]

2,4-Dichloropyrido[3,2-d]pyrimidine
[CAS]

39551-54-7
[Synonyms]

4-dichloropyrido[3
5,6-DIMETHYLPYRAZI...
2,4-dichloropyrido[3,2-d]pyrimidine
Pyrido[3,2-d]pyrimidine, 2,4-dichloro-
2,4-Dichloropyrido[3,2-d]pyrimidine ISO 9001:2015 REACH
[Molecular Formula]

C7H3Cl2N3
[MDL Number]

MFCD11046863
[MOL File]

39551-54-7.mol
[Molecular Weight]

200.02
Chemical PropertiesBack Directory
[Melting point ]

168-169 ºC
[density ]

1.573
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

-1.31±0.30(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C7H3Cl2N3/c8-6-5-4(2-1-3-10-5)11-7(9)12-6/h1-3H
[InChIKey]

UVVFNZJVLRJSMW-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC(Cl)=C2N=CC=CC2=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H302-H335-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-Dichloropyrido[3,2-d]pyrimidine(39551-54-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

37538-68-4

2,4-Dichloropyrido[3,2-d]pyrimidine

39551-54-7

2,4-Dichloropyrido[3,2-d]pyrimidine was synthesized using 2,4-dihydroxypyrido[3,2-d]pyrimidine as starting material in the following steps: (2) Intermediate B3 (lg) was mixed with phosphorus oxychloride (POCl3) and phosphorus pentachloride (PCl5) and reacted by refluxing at 135°C to obtain intermediate C3 in 48% yield. The reaction equation was as follows:

[References]

[1] Synlett, 2006, # 12, p. 1938 - 1942
[2] Patent: CN106083742, 2016, A. Location in patent: Paragraph 0185; 0188; 0189
[3] Journal of the American Chemical Society, 1956, vol. 78, p. 973,974
[4] Journal of the Chemical Society, 1956, p. 1045,1053
[5] Patent: WO2010/37765, 2010, A2. Location in patent: Page/Page column 61
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