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124473-12-7

Basic Information
CAS No.: 124473-12-7
Name: 2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 124473-12-7 (2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE)
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
Synthetic route
86604-77-5

2-hydroxymethyl-4-methoxy-3-methylpyridine

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 25℃; for 2h;
With thionyl chloride In dichloromethane at 0℃;
37699-43-7

2,3-dimethyl-4-nitropyridine N-oxide

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

Conditions
ConditionsYield
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
102625-96-7

4-methoxy-2,3-dimethylpyridine 1-oxide

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

Conditions
ConditionsYield
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
102625-98-9

2-acetoxymethyl-4-methoxy-3-methylpyridine

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

Conditions
ConditionsYield
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
90070-09-0

2-mercaptothieno<3,4-d>imidazole

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

111371-73-4

2-(4-Methoxy-3-methyl-pyridin-2-ylmethylsulfanyl)-1H-thieno[3,4-d]imidazole

Conditions
ConditionsYield
In ethanol Heating;59%
124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

134469-07-1

Benzimidazol-2-thiol

102804-82-0

2-[[(4-methoxy-3-methylpyridin-2-yl)methyl]mercapto]-1H-benzimidazole

Conditions
ConditionsYield
With sodium hydroxide In ethanol Heating; Yield given;
124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

111371-27-8

2-(4-methoxy-3-methyl-2-picolyl-sulfinyl)-1H-thieno[3,4-d]imidazole

Conditions
ConditionsYield
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
81864-06-4

5,7-dihydro-2-mercapto-5,5,7,7-tetramethylindeno[5,6-d]-imidazol-6(1H)-one

124473-12-7

2-chloromethyl-3-methyl-4-methoxypyridine

101387-97-7

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
ConditionsYield
In acetone
Downstream Products
102804-82-0
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    Product name: 2-Chloromethyl-4-Methoxy-3-Methylpyridine Hydrochloride CAS No.: 124473-12-7 Molecule Formula:C8H10ClNO Molecule Weight:171.62 Purity: 99.0% Package: 25kg/drum Description:Off-white to pale yellow powder Manufacture Stan

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  • 2-(Chloromethyl)-4-methoxy-3-methylpyridine

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Specification

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%.

2-(Chloromethyl)-4-methoxy-3-methylpyridine 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

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