Melting Point ?274ºC
Bolling Point ?281.9ºC at 760 mmHg
Flash Point ?124.3ºC
Refractive Index ?1.617
Vapor Pressure ?0.000408mmHg at 25°C
Chemical Products Gimeracil Characteristics
Chemical Products Gimeracil Description
Off-White Solid
Chemical Products Gimeracil Basic Attributes
CAS No：103766-25-2
Molecular Formula ：C5H4ClNO2
Molecular Mass ：145.54400
Exact Mass ：144.99300
PSA ：53.09000
LogP ：-0.1
InChIKeys ：ZPLQIPFOCGIIHV-UHFFFAOYSA-N
H-bond Acceptor ：2
H-bond Donor ：2
SP3 ：0.00
RBN ：0
Chemical Products Gimeracil Characteristics
Density ：1.56 g/cm3
Melting Point ：274ºC
Bolling Point ：281.9ºC at 760 mmHg
Flash Point ：124.3ºC
Refractive Index ：1.617
Vapor Pressure ：0.000408mmHg at 25°C
Chemical Products Gimeracil Safety Information
Packing Group ：II
Hazard Class ：3
HS Code ：2942000000
UN No. ：UN 2985 3/PG 2
WGK_Germany ：1
Risk Code ：R11; R14; R34
Safety Instructions ：S16; S26; S33; S36/37/39
Dangerous Mark ：F; C
Chemical Products Gimeracil Product Usage
1. Gimeracil is an inhibitor of dihydropyrimidine dehydrogenase, which inhibits the early step in homologous recombination for double strand breaks repair.
2. Gimeracil is an antitumor agent. Gimeracil is a potent inhibitor of dihydropyrimidine dehydrogenase (DPD).
3. Antitumor agent. A potent inhibitor of dihydropyrimidine dehydrogenase (DPD)
Chemical Products Gimeracil Product Methods
A mixture of compound 6 (8.0 g, 44 mmol), acetonitrile (100 mL), acetic acid (3 mL)and sodium iodide (13.2 g, 88 mmol) was heated for 8 h at 60 °C. Then the mixture was cooled to room temperature and poured into 10percent sodium thiosulfate solution (200 mL) to precipitate a colourless solid, which was recrystallised from water to give pure compound 2: Yield 5.6 g (86percent); m.p.272–273 °C (lit.7 273–274 °C); 1H NMR (400 MHz, DMSO-d6): δ 5.70(s, 1H), 7.51 (s, 1H), 11.29 (br, 2H) ; 13C NMR (100 MHz, DMSO-d6): δ163.5, 163.2, 134.6, 105.6, 98.7; LRMS (ESI) m/z (percent): 146 (100) [M (35Cl+ 1]+, 148 (30) [M (37Cl) + 1]+; HRMS (ESI) m/z calcd for C5H535ClNO2:[M + H]+: 146.0003; found: 146.0012; calcd for C5H537ClNO2: [M + H]+:147.9975; found: 147.9975.Xylene (40 mL) was added to 2, 2-cyclohexyl-5-chloro-1, 3-dioxin-4-one (4.25 g, 0.021 mol), produced in Referential Example 2, and ketene diethyl ether (2.91 g, 0.025 mol), and the mixture was stirred under heating at 128 to 130°C (internal temperature) for 40 minutes.
