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CAS No.: | 124473-12-7 |
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Name: | 2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H10ClNO |
Molecular Weight: | 171.626 |
Synonyms: | Lafutidine Pibutidine intermediate |
EINECS: | 1806241-263-5 |
Density: | 1.139 g/cm3 |
Boiling Point: | 257.508 °C at 760 mmHg |
Flash Point: | 109.537 °C |
Appearance: | Light yellow liquid |
PSA: | 22.12000 |
LogP: | 2.93940 |
2-hydroxymethyl-4-methoxy-3-methylpyridine
2-chloromethyl-3-methyl-4-methoxypyridine
Conditions | Yield |
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With thionyl chloride In dichloromethane at 25℃; for 2h; | |
With thionyl chloride In dichloromethane at 0℃; |
2,3-dimethyl-4-nitropyridine N-oxide
2-chloromethyl-3-methyl-4-methoxypyridine
Conditions | Yield |
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Multi-step reaction with 4 steps 1: 82 percent / K2CO3 / 20 h / Heating 2: 110 °C 3: 10percent aq. HCl / 1.5 h / 90 °C 4: SOCl2 / CH2Cl2 / 0 °C View Scheme |
4-methoxy-2,3-dimethylpyridine 1-oxide
2-chloromethyl-3-methyl-4-methoxypyridine
Conditions | Yield |
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Multi-step reaction with 3 steps 1: 110 °C 2: 10percent aq. HCl / 1.5 h / 90 °C 3: SOCl2 / CH2Cl2 / 0 °C View Scheme | |
Multi-step reaction with 3 steps 1: AcOH / 120 °C 2: 2N aq. NaOH / methanol / 2 h / 25 °C 3: SOCl2 / CH2Cl2 / 2 h / 25 °C View Scheme |
2-acetoxymethyl-4-methoxy-3-methylpyridine
2-chloromethyl-3-methyl-4-methoxypyridine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 10percent aq. HCl / 1.5 h / 90 °C 2: SOCl2 / CH2Cl2 / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: 2N aq. NaOH / methanol / 2 h / 25 °C 2: SOCl2 / CH2Cl2 / 2 h / 25 °C View Scheme |
2-mercaptothieno<3,4-d>imidazole
2-chloromethyl-3-methyl-4-methoxypyridine
2-(4-Methoxy-3-methyl-pyridin-2-ylmethylsulfanyl)-1H-thieno[3,4-d]imidazole
Conditions | Yield |
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In ethanol Heating; | 59% |
2-chloromethyl-3-methyl-4-methoxypyridine
Benzimidazol-2-thiol
2-[[(4-methoxy-3-methylpyridin-2-yl)methyl]mercapto]-1H-benzimidazole
Conditions | Yield |
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With sodium hydroxide In ethanol Heating; Yield given; |
2-chloromethyl-3-methyl-4-methoxypyridine
2-(4-methoxy-3-methyl-2-picolyl-sulfinyl)-1H-thieno[3,4-d]imidazole
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 59 percent / ethanol / Heating 2: 65 percent / aq. sodium bicarbonate, m-chloroperbenzoic acid / CH2Cl2 / 0.17 h / 0 °C View Scheme |
5,7-dihydro-2-mercapto-5,5,7,7-tetramethylindeno[5,6-d]-imidazol-6(1H)-one
2-chloromethyl-3-methyl-4-methoxypyridine
5,7-dihydro-2-[[(4-methoxy-3-methyl-pyridin-2-yl)methyl]thio]-5,5,7,7-tetramethylindeno[5,6-d]imidazol-6(1H)-one
Conditions | Yield |
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In acetone |
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The systematic name of this chemical is 2-(chloromethyl)-4-methoxy-3-methylpyridine. With the CAS registry number 124473-12-7, it is also named as pyridine, 2-(chloromethyl)-4-methoxy-3-methyl-. In addition, the formula is C8H10ClNO and the molecular weight is 171.59.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 129; (8)ACD/KOC (pH 7.4): 206; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 45.613 cm3; (15)Molar Volume: 150.63 cm3; (16)Polarizability: 18.082×10-24 cm3; (17)Surface Tension: 36.796 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 109.537 °C; (20)Enthalpy of Vaporization: 47.507 kJ/mol; (21)Boiling Point: 257.508 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
Uses of 2-(Chloromethyl)-4-methoxy-3-methylpyridine: It can react with 3H-thieno[3,4-d]imidazole-2-thiol to get 2-(4-methoxy-3-methyl-pyridin-2-ylmethylsulfanyl)-3H-thieno[3,4-d]imidazole. This reaction needs solvent ethanol by heating. The yield is 59%.
People can use the following data to convert to the molecule structure.
1. SMILES:ClCc1nccc(OC)c1C
2. InChI:InChI=1/C8H10ClNO/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3
3. InChIKey:UIRCDHHEYPUZGA-UHFFFAOYAJ