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CAS No.: | 4472-44-0 |
---|---|
Name: | 2-Chloro-4,6-dimethylpyrimidine |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C6H7ClN2 |
Molecular Weight: | 142.588 |
Synonyms: | 2-Chloro-4,6-dimethylpyrimidine;4,6-Dimethyl-2-chloropyrimidine;NSC 49016; |
Density: | 1.184 g/cm3 |
Melting Point: | 34-36 °C |
Boiling Point: | 216 °C at 760 mmHg |
Flash Point: | 104.8 °C |
Appearance: | white crystal |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 2265 |
PSA: | 25.78000 |
LogP: | 1.74680 |
4,6-dimethyl-2-hydroxy-pyrimidine hydrochloride
2-chloro-4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate for 10h; Inert atmosphere; Reflux; | 91% |
With trichlorophosphate for 10h; Heating; | 77% |
With trichlorophosphate for 10h; Reflux; | 77% |
With trichlorophosphate In neat (no solvent) for 10h; Inert atmosphere; Reflux; | 77% |
2-oxo-4,6-dimethyl-1,2-dihydropyrimidine hydrochloride
2-chloro-4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate for 18h; Heating / reflux; | 56% |
With trichlorophosphate |
Conditions | Yield |
---|---|
In diethyl ether; trichlorophosphate | 55% |
4-amino-1-[9,10-dihydro-9,10-methanoanthracen-9-ylmethyl]piperidine
A
2-chloro-4,6-dimethylpyrimidine
B
2-[1-(9,10-Dihydro-9,10-methanoanthracen-9-ylmethyl)-4-piperidylamino]-4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
A n/a B 55% |
Conditions | Yield |
---|---|
With trichlorophosphate for 23h; Heating / reflux; | 55% |
benzylamine
4,6-dimethyl-2-meraptopyrimidine
A
2-chloro-4,6-dimethylpyrimidine
Conditions | Yield |
---|---|
Stage #1: 4,6-dimethyl-2-meraptopyrimidine With hydrogenchloride; sodium hypochlorite In dichloromethane; water at -10 - -5℃; for 0.25h; Stage #2: benzylamine In dichloromethane at 0℃; for 0.5h; | A n/a B 19% |
1-benzyl-3,5-dimethyl-1H-pyrazole
chloroform
A
2-chloro-4-methylpyrimidine
B
2-chloro-4,6-dimethylpyrimidine
C
2-phenylpyrimidine
D
4,6-dimethyl-2-phenylpyrimidine
Conditions | Yield |
---|---|
at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts; |
1-benzyl-3,5-dimethyl-1H-pyrazole
chloroform
A
2-chloro-4-methylpyrimidine
B
2-chloro-4,6-dimethylpyrimidine
C
4,6-dimethyl-2-phenylpyrimidine
D
3-Methylpyrazole
Conditions | Yield |
---|---|
at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts; |
1-benzyl-3,5-dimethyl-1H-pyrazole
A
NH-pyrazole
B
2-chloro-4-methylpyrimidine
C
2-chloro-4,6-dimethylpyrimidine
D
4,6-dimethyl-2-phenylpyrimidine
Conditions | Yield |
---|---|
With chloroform at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts; |
1-benzyl-3,5-dimethyl-1H-pyrazole
A
2-chloro-4-methylpyrimidine
B
2-chloro-4,6-dimethylpyrimidine
C
4,6-dimethyl-2-phenylpyrimidine
D
3-Methylpyrazole
Conditions | Yield |
---|---|
With chloroform at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts; |
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The 2-Chloro-4,6-dimethylpyrimidine with the cas number 4472-44-0. It is also called Pyrimidine, 2-chloro-4,6-dimethyl-. It belongs to the following product categories: (1)Pyrimidine; (2)pharmacetical; (3)Halides; (4)Pyrazines, Pyrimidines & Pyridazines. It can be used for a kind of important pharmaceutical intermediates.
Properties of 2-Chloro-4,6-dimethylpyrimidine are: (1)ACD/LogP: 1.28 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.28 ; (4)ACD/LogD (pH 7.4): 1.28 ; (5)ACD/BCF (pH 5.5): 5.53 ; (6)ACD/BCF (pH 7.4): 5.53 ; (7)ACD/KOC (pH 5.5): 118.41 ; (8)ACD/KOC (pH 7.4): 118.41 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 25.78 Å2 ; (13)Index of Refraction: 1.526 ; (14)Molar Refractivity: 36.98 cm3 ; (15)Molar Volume: 120.3 cm3 ; (16)Polarizability: 14.66 ×10-24cm3 ; (17)Surface Tension: 42.1 dyne/cm ; (18)Density: 1.184 g/cm3 ; (19)Flash Point: 104.8 °C ; (20)Enthalpy of Vaporization: 43.39 kJ/mol ; (21)Boiling Point: 216 °C at 760 mmHg ; (22)Vapour Pressure: 0.211 mmHg at 25°C
Uses of 2-Chloro-4,6-dimethylpyrimidine: 2-Chloro-4,6-dimethylpyrimidine can be used as reactant in many reations. For instance, it can react with trimethylamine to obtain (4,6-dimethyl-pyrimidin-2-yl)-trimethyl-ammonium; chloride at room temperature for 1h in benzene as solvent. The yield is 91 % .
When you are using 2-Chloro-4,6-dimethylpyrimidine, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, Do not breathe dust, because it is quite harmful by inhalation, in contact with skin and if swallowed.
You can still convert the following datas into molecular structure :
1.SMILES:Clc1nc(cc(n1)C)CCopyCopied
2.InChI:InChI=1/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
Toxic information of 2-Chloro-4,6-dimethylpyrimidine can be showed as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12211, | |
mouse | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Biochemical Pharmacology. Vol. 21, Pg. 277, 1972. |