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5750-76-5

Basic Information
CAS No.: 5750-76-5
Name: 2,4,5-Trichloropyrimidine
Article Data: 28
Molecular Structure:
Molecular Structure of 5750-76-5 (2,4,5-Trichloropyrimidine)
Formula: C4HCl3N2
Molecular Weight: 183.424
Synonyms: Pyrimidine, 2,4,5-trichloro-;
EINECS: 628-281-0
Density: 1.641 g/cm3
Boiling Point: 258.5 °C at 760 mmHg
Flash Point: 135.1 °C
Solubility: Not miscible or difficult to mix in water.
Appearance: Colorless to pale yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: UN 3267
PSA: 25.78000
LogP: 2.43680
Synthetic route
1820-81-1

5-chlorouracil

5750-76-5

2,4,5-trichloropyrimidine

Conditions
ConditionsYield
With phosphorus pentachloride; trichlorophosphate Neat (no solvent); Heating / reflux;95%
With phosgene; Triphenylphosphine oxide In nitrobenzene at -5 - 125℃; for 0.833333h; Inert atmosphere;93%
With N,N-diethylaniline; trichlorophosphate at 110℃; for 24h;81%
1820-81-1

2,4-dihydroxy-5-chloropyrimidine

5750-76-5

2,4,5-trichloropyrimidine

Conditions
ConditionsYield
With dmap; thionyl chloride; bis(trichloromethyl) carbonate for 10h; Reflux; Green chemistry;91%
With pyridine; trichlorophosphate at 160℃; for 2h; Autoclave; neat (no solvent);89%

2-cyanoethyl isocyanide dichloride

5750-76-5

2,4,5-trichloropyrimidine

Conditions
ConditionsYield
With hydrogenchloride In chloroform; chlorine
With hydrogenchloride; thionyl chloride In chlorine
10025-67-9

disulfur dichloride

sulphur dichloride

(2-cyanoethyl)-methyl-dithiocarbamic acid methyl ester

5750-76-5

2,4,5-trichloropyrimidine

459-59-6

4-fluoro-N-methylaniline

5750-76-5

2,4,5-trichloropyrimidine

1341200-86-9

2,5-dichloro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol for 12h; Reflux;100%
22236-10-8

4-difluoromethoxyaniline

5750-76-5

2,4,5-trichloropyrimidine

1341200-83-6

2,5-dichloro-N-(4-(difluoromethoxy)phenyl)pyrimidin-4-amine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol for 12h; Reflux;100%
1765-93-1

4-fluoroboronic acid

5750-76-5

2,4,5-trichloropyrimidine

1341200-89-2

2,5-dichloro-4-(4-fluorophenyl)pyrimidine

Conditions
ConditionsYield
With palladium diacetate; sodium carbonate; triphenylphosphine In tetrahydrofuran; water for 12h; Suzuki coupling; Reflux;100%
5750-76-5

2,4,5-trichloropyrimidine

371-40-4

4-fluoroaniline

280582-13-0

2,5-dichloro-N-(4-fluorophenyl)pyrimidine-4-amine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol for 12h; Reflux;100%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;85%
Stage #1: 2,4,5-trichloropyrimidine With tetra-(n-butyl)ammonium iodide In dimethyl sulfoxide at 20℃;
Stage #2: 4-fluoroaniline With triethylamine In dimethyl sulfoxide at 20℃; for 3h;
65%
With sodium carbonate In ethanol at 20℃; for 16h;57%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;57%

5-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester

5750-76-5

2,4,5-trichloropyrimidine

tert-butyl 5-((2,5-dichloropyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

Conditions
ConditionsYield
With triethylamine In ethanol at 20℃;100%
With triethylamine In ethanol at 20℃;100%
With triethylamine In ethanol at 20℃;100%

(S)-10-amino-2-cyclopropyl-3,3-difluoro-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6(7H)-one

5750-76-5

2,4,5-trichloropyrimidine

(S)-2-cyclopropyl-10-((2,5-dichloropyrimidin-4-yl)amino)-3,3-difluoro-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6(7H)-one

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 140℃; for 1h; Inert atmosphere; Microwave irradiation; Sealed tube;100%
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 140℃; for 1h; Inert atmosphere; Microwave irradiation;88%
Raw Materials
1820-81-1
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Specification

The CAS register number of 2,4,5-Trichloropyrimidine is 5750-76-5. It also can be called as Pyrimidine, 2,4,5-trichloro- and the IUPAC name about this chemical is 2,4,5-trichloropyrimidine. The molecular formula about this chemical is C4HCl3N2 and the molecular weight is 183.42. It belongs to the following product categories which include Heterocycles; Pharmacetical; Halides; Pyrazines, Pyrimidines & Pyridazines; Pyrimidine; Pyrimidine series; Halogenated; Organohalides; Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks and so on.

Physical properties about 2,4,5-Trichloropyrimidine are: (1)ACD/LogP: 1.63; (2)Polar Surface Area: 25.78Å2; (3)Index of Refraction: 1.578; (4)Molar Refractivity: 37.12 cm3; (5)Molar Volume: 111.7 cm3; (6)Polarizability: 14.71x10-24cm3; (7)Surface Tension: 54.2 dyne/cm; (8)Enthalpy of Vaporization: 47.6 kJ/mol; (9)Boiling Point: 258.5 °C at 760 mmHg; (10)Vapour Pressure: 0.0221 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(Cl)nc1Cl
(2)InChI: InChI=1/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
(3)InChIKey: GIKMWFAAEIACRF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
(5)Std. InChIKey: GIKMWFAAEIACRF-UHFFFAOYSA-N