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

Name
2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE
EINECS 1806241-263-5
CAS No. 124473-12-7
Article Data3
CAS DataBase
Density 1.139 g/cm³
Solubility
Melting Point
Formula C₈H₁₀ClNO
Boiling Point 257.508 °C at 760 mmHg
Molecular Weight 171.626
Flash Point 109.537 °C
Transport Information
Appearance Light yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lafutidine Pibutidine intermediate
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In acetone

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

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

Product Name

2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE

Synthetic route

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

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