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2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine
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Name

2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine

 EINECS 601-511-7
CAS No. 118175-10-3 Density 1.097 g/cm3
PSA 51.58000 LogP 1.29760
Solubility N/A Melting Point N/A
Formula C11H17NO3 Boiling Point 342.808 °C at 760 mmHg
Molecular Weight 211.261 Flash Point 161.125 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 118175-10-3 (2-Hydroxymethyl-3-methyl-4-(3-methoxy propanoxyl)pyridine) Hazard Symbols N/A
Synonyms

2-HYDROXYMETHYL-4-METHOXYPROPOXY-3-METHYLPYRIDINE;(4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methanol;2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine;2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine;

Article Data 4

2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine Synthetic route

2-acetoxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

Conditions
ConditionsYield
With water; sodium hydroxide at 80℃; for 1h; pH=14;92.1%
With sodium hydroxide; water at 20 - 50℃; for 1h;
With sodium hydroxide In ethanol at 20 - 55℃;
With ethanol; sodium hydroxide at 20 - 55℃; for 2h; Inert atmosphere;98 g
117977-18-1

2,3-dimethyl-4-(3-methoxypropoxy)pyridine nitroxide

118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 6.5 h / 0 - 90 °C / Inert atmosphere
2: sodium hydroxide; ethanol / 2 h / 20 - 55 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1: toluene-4-sulfonic acid / 3 h / 50 °C
2: sodium hydroxide; water / 1 h / 80 °C / pH 14
View Scheme
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

117977-20-5

2-chloromethyl-4-(3-methoxy propyloxy)-3-methyl pyridine

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20 - 25℃; Product distribution / selectivity;99%
With thionyl chloride In 1,2-dimethoxyethane at 20 - 25℃; Product distribution / selectivity;99.2%
Stage #1: 2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine With thionyl chloride In dichloromethane at 0 - 20℃;
Stage #2: With sodium hydrogencarbonate In water at 5℃; pH=7.5;		99%
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

Reaxys ID: 11530903

Reaxys ID: 11530903

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20 - 25℃; Product distribution / selectivity;99%
With thionyl chloride In 1,2-dimethoxyethane at 20 - 25℃; Product distribution / selectivity;99.2%
With thionyl chloride In toluene at 20 - 25℃; Product distribution / selectivity;97.3%
With thionyl chloride In ethyl acetate at 20 - 25℃; Product distribution / selectivity;97.4%
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

Conditions
ConditionsYield
With thionyl chloride In ethyl acetate at 5 - 20℃; for 3h; Temperature;95.7%
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

134469-07-1

Benzimidazol-2-thiol

117977-21-6

rabeprazole sulfide

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 10℃; Mitsunobu Displacement;80%
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

117976-89-3

rabeprazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 0 - 10 °C
2: sodium hydroxide; sodium hypochlorite / acetonitrile; water / 2 h / 0 - 5 °C
View Scheme
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

117976-90-6

Rabeprazole sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 0 - 10 °C
2: sodium hydroxide; sodium hypochlorite / acetonitrile; water / 2 h / 0 - 5 °C
3: sodium hydroxide / methanol / 1 h / 20 °C
View Scheme
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

117977-21-6

rabeprazole sulfide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere
2: sodium hydroxide; ethanol / 2 h / 55 °C / Inert atmosphere
View Scheme
118175-10-3

2-hydroxymethyl-4-(3-methoxy propoxy)-3-methyl pyridine

5-(difluoromethoxy)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / dichloromethane / 2 h / 20 °C
2: sodium hydroxide / methanol / 0.5 h / 20 °C
3: sodium hydroxide; sodium hypochlorite / ethyl acetate; water / 20 °C
View Scheme

2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine Specification

The 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride, with its CAS registry number 118175-10-3, has the systematic name of [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol. With its molecular foumula of C11H17NO3, it has the formula weight of 211.26. This chemical belongs to the product categories which include Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds.

The characteristics of 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride are as follows: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 51.58 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 57.943 cm3; (15)Molar Volume: 192.634 cm3; (16)Polarizability: 22.97×10-24cm3; (17)Surface Tension: 41.287 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 161.125 °C; (20)Enthalpy of Vaporization: 61.91 kJ/mol; (21)Boiling Point: 342.808 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:OCc1nccc(OCCCOC)c1C
(2)InChI:InChI=1/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3
(3)InChIKey:OLBSXXZEMRBFIG-UHFFFAOYAJ

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