ethyl-4-phenyl pyrimidine-5-carboxylate

Modify Date: 2025-08-25 11:13:04

ethyl-4-phenyl pyrimidine-5-carboxylate Structure
ethyl-4-phenyl pyrimidine-5-carboxylate structure
Common Name ethyl-4-phenyl pyrimidine-5-carboxylate
CAS Number 100724-16-1 Molecular Weight 228.24700
Density 1.167g/cm3 Boiling Point 393.2ºC at 760mmHg
Molecular Formula C13H12N2O2 Melting Point 159-161℃
MSDS N/A Flash Point 191.6ºC

 Names

Name (4-ethylphenyl) pyrimidine-5-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.167g/cm3
Boiling Point 393.2ºC at 760mmHg
Melting Point 159-161℃
Molecular Formula C13H12N2O2
Molecular Weight 228.24700
Flash Point 191.6ºC
Exact Mass 228.09000
PSA 52.08000
LogP 2.32030
Vapour Pressure 2.17E-06mmHg at 25°C
Index of Refraction 1.562
InChIKey HENFGBQLRJLYFL-UHFFFAOYSA-N
SMILES CCOC(=O)c1cncnc1-c1ccccc1

 Safety Information

HS Code 2933599090

 Synthetic Route

~72%

ethyl-4-phenyl pyrimidine-5-carboxylate Structure

ethyl-4-phenyl ...

CAS#:100724-16-1

Literature: Sasada, Toshiaki; Kobayashi, Fuminori; Sakai, Norio; Konakahara, Takeo Organic Letters, 2009 , vol. 11, # 10 p. 2161 - 2164

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ethyl-4-phenyl pyrimidine-5-carboxylate Structure

ethyl-4-phenyl ...

CAS#:100724-16-1

Literature: ACTELION PHARMACEUTICALS LTD; AISSAOUI, Hamed; BOSS, Christoph; BROTSCHI, Christine; KOBERSTEIN, Ralf; SIEGRIST, Romain; SIFFERLEN, Thierry; TRACHSEL, Daniel; WILLIAMS, Jodi T. Patent: WO2010/44054 A1, 2010 ; Location in patent: Page/Page column 137-138 ; WO 2010/044054 A1

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-phenyl-pyrimidine-5-carboxylic acid ethyl ester
ETHYL-4-PHENYL PYRIMIDINE-5-CARBOXYLATE
4-Phenyl-5-ethoxycarbonyl-pyrimidin
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