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Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium carbonate In ethanol; water at 70℃; for 10h; Catalytic behavior; Suzuki-Miyaura Coupling; | 87% |
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 4h; Inert atmosphere; Reflux; | 86% |
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 4h; Inert atmosphere; Reflux; | 86% |
Conditions | Yield |
---|---|
With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; palladium diacetate; potassium carbonate In 1,4-dioxane at 100℃; for 18h; Inert atmosphere; | 84% |
2,6-Dichloropyrimidine
phenylboronic acid
A
2-chloro-4-phenylpyrimidine
B
2,4-diphenylpyrimidine
Conditions | Yield |
---|---|
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In methanol; benzene for 4h; Phenylation; Heating; | A 80% B 10% |
2,6-Dichloropyrimidine
phenylzinc(II) bromide
2-chloro-4-phenylpyrimidine
Conditions | Yield |
---|---|
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; | 64% |
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; | |
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 80℃; for 10h; | 60% |
N-(1-phenylethylidene)cyanamide
N,N-dimethyl-formamide
2-chloro-4-phenylpyrimidine
Conditions | Yield |
---|---|
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 20℃; for 0.166667h; Vilsmeier Reaction; Stage #2: N-(1-phenylethylidene)cyanamide at 20 - 130℃; for 1.5h; | 60% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 25℃; for 8h; | 49% |
Conditions | Yield |
---|---|
With manganese(III) triacetate dihydrate In ethanol at 170℃; for 0.166667h; Microwave irradiation; regioselective reaction; | 48% |
2-Amino-4-phenylpyrimidine 1-Oxide
A
2-chloro-4-phenylpyrimidine
B
2-chloro-4-phenylpyrimidine 1-oxide
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite at 0℃; for 2h; | A 12% B 46% |
With hydrogenchloride; lithium chloride; sodium nitrite In acetic acid | A 12% B 46% |
4-phenylpyrimidin-2-amine
A
2-chloro-4-phenylpyrimidine
B
2-hydroxy-4-phenylpyrimidine
Conditions | Yield |
---|---|
With hydrogenchloride; lithium chloride; sodium nitrite In acetic acid | A 35% B 20% |
The Pyrimidine,2-chloro-4-phenyl-, with CAS registry number 13036-50-5, belongs to the following product categories: (1)Amines; (2)Blocks; (3)APIs & Intermediate; (4)Pyrimidine; (5)Pharmacetical. It has the systematic name of 2-chloro-4-phenylpyrimidine. This chemical should be kept cold. And the chemical formula of this chemical is C10H7ClN2.
Physical properties of Pyrimidine,2-chloro-4-phenyl-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.95; (6)ACD/BCF (pH 7.4): 23.95; (7)ACD/KOC (pH 5.5): 337.96; (8)ACD/KOC (pH 7.4): 337.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 51.92 cm3; (15)Molar Volume: 153.1 cm3; (16)Polarizability: 20.58×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 208.1 °C; (20)Enthalpy of Vaporization: 59.07 kJ/mol; (21)Boiling Point: 368.3 °C at 760 mmHg; (22)Vapour Pressure: 2.73E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(c1ccccc1)ccn2
(2)InChI: InChI=1/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: AAZYJKNISGEWEV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: AAZYJKNISGEWEV-UHFFFAOYSA-N