Basic information
- Name:
Pyrimidine,2-chloro-4,6-dimethoxy-
- Superlist Name:
- 2-Chloro-4,6-dimethoxypyrimidine
- CAS No.:
13223-25-1
- Molecular Structure:
- Formula:
- C6H7ClN2O2
- Molecular Weight:
- 174.59
- Synonyms:
- 4,6-Dimethoxy-2-chloropyrimidine;AC1NP78R;61336_ALDRICH;AC1Q49B7;61336_FLUKA;
- Density:
- 1.285 g/cm3
- Melting Point:
- 100-105 °C
- Boiling Point:
- 317.1 °C at 760 mmHg
- Flash Point:
- 145.6 °C
- Solubility:
- Insoluble in water, soluble in toluene, isopropyl alcohol
- Appearance:
- white powder
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 22-36-36/37/38
- Safety Description:
- 26 Details
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Specification
The 2-Chloro-4,6-dimethoxypyrimidine with CAS registry number of 13223-25-1 is also known as Pyrimidine,2-chloro-4,6-dimethoxy-. The IUPAC name and product name are the same. It belongs to product categories of Pyrimidine; Pyrimidines; Building Blocks; Heterocyclic Building Blocks; Dimethoxy pyrimidines. In addition, the formula is C6H7ClN2O2 and the molecular weight is 174.59.
Physical properties about 2-Chloro-4,6-dimethoxypyrimidine are: (1)ACD/LogP: 0.07; (2)ACD/LogD (pH 5.5): 0.07; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.04; (7)ACD/KOC (pH 7.4): 26.04; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.51; (11)Molar Refractivity: 40.68 cm3; (12)Molar Volume: 135.8 cm3; (13)Surface Tension: 41.5 dyne/cm; (14)Density: 1.285 g/cm3; (15)Flash Point: 145.6 °C; (16)Enthalpy of Vaporization: 53.63 kJ/mol; (17)Boiling Point: 317.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00073 mmHg at 25 °C.
Preparation of 2-Chloro-4,6-dimethoxypyrimidine: it is prepared by reaction of malononitrile. 3-Amino-3-methoxy-N-cyano-2-C amidine intermediate is received and dispersed in toluene. Then dry hydrogen chloride is passed at the temperature of 0 °C under stirring for 2 hours. After reaction, adding water to the mixture and the water layer is extracted with toluene. At last, product is obtained by combining toluene solution, vacuum steam and drying.
Uses of 2-Chloro-4,6-dimethoxypyrimidine: it is used as pesticide intermediate and used to produce 7-(4,6-dimethoxy-pyrimidin-2-ylsulfanyl)-3-methyl-3H-isobenzofuran-1-one by reaction with 7-mercapto-3-methyl-3H-isobenzofuran-1-one. The reaction occurs with reagents K2CO3, triphenylphosphine and solvent acetonitrile at the temperature of 55 °C for 23 hours. The yield is about 91.1%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC(=NC(=N1)Cl)OC
2. InChI: InChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3
3. InChIKey: PBEKEFWBLFBSGQ-UHFFFAOYSA-N
