CAS No.86604-75-3,2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86604-75-3
Name:	2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
Article Data:	17

Formula:	C₉H₁₂ClNO^.HCl
Molecular Weight:	222.114
Synonyms:	2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
EINECS:	-0
Melting Point:	128-131 °C(lit.)
Boiling Point:	272.2 °C at 760 mmHg
Flash Point:	118.4 °C
Solubility:	Soluble in water.
Appearance:	White to off White crystalline powder with irritating odour
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3261
PSA:	22.12000
LogP:	3.24780

Synthetic route

: 86604-78-6
(4-methoxy-3,5-dimethylpyridin-2-yl)methanol

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 20℃; for 1h;	100%
With thionyl chloride In dichloromethane at 20℃; for 1h;	100%
With bis(trichloromethyl) carbonate; Triphenylphosphine oxide In toluene at 20 - 60℃; for 6h; Temperature;	98%

: 84006-10-0
(chloromethyl)-4-methoxy-3,5-dimethylpyridine

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In toluene at 15℃; for 0.1h;	94.5%
With hydrogenchloride In ethanol at 20℃; for 1h; Inert atmosphere;	92.6%

: 695-98-7
2,3,5-trimethyl-pyridine

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 76 percent / 30percent aq. H2O2, HOAc / 23 h / 90 °C 2: HNO3 / Heating 4: 110 °C 5: aq. NaOH / methanol / Heating 6: 90 percent / SOCl2 / CH2Cl2 / 0.5 h / Heating View Scheme

: 86604-79-7
2,3,5-trimethyl-4-nitropyridine N-oxide

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: 110 °C 3: aq. NaOH / methanol / Heating 4: 90 percent / SOCl2 / CH2Cl2 / 0.5 h / Heating View Scheme
Multi-step reaction with 4 steps 1: NaOMe / 16 h / 40 °C 2: 2 h / 90 °C 3: 2 N aq. NaOH / 2 h / 80 °C 4: SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme

: 74409-42-0
2,3,5-trimethylpyridine 1-oxide

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: HNO3 / Heating 3: 110 °C 4: aq. NaOH / methanol / Heating 5: 90 percent / SOCl2 / CH2Cl2 / 0.5 h / Heating View Scheme
Multi-step reaction with 5 steps 1: 98percent HNO3 / acetic acid / 33 h / 80 °C 2: NaOMe / 16 h / 40 °C 3: 2 h / 90 °C 4: 2 N aq. NaOH / 2 h / 80 °C 5: SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme

: 86604-80-0
4-methoxy-2,3,5-trimethylpyridine 1-oxide

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 110 °C 2: aq. NaOH / methanol / Heating 3: 90 percent / SOCl2 / CH2Cl2 / 0.5 h / Heating View Scheme
Multi-step reaction with 3 steps 1: 2 h / 90 °C 2: 2 N aq. NaOH / 2 h / 80 °C 3: SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme
Multi-step reaction with 3 steps 1: acetic acid / methanol; toluene 2: sodium hydroxide / methanol 3: thionyl chloride View Scheme
Multi-step reaction with 3 steps 1: Raney nickel / methanol / 6 h / 40 °C 2: trichloroisocyanuric acid / chloroform / 4 h / 50 °C 3: hydrogenchloride / toluene / 0.1 h / 15 °C View Scheme

: 91219-90-8
(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl acetate

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / methanol / Heating 2: 90 percent / SOCl2 / CH2Cl2 / 0.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 2 N aq. NaOH / 2 h / 80 °C 2: SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / methanol 2: thionyl chloride View Scheme

SO2 Cl2: SO2 Cl2

: 86604-78-6
(4-methoxy-3,5-dimethylpyridin-2-yl)methanol

A 2-chloromethyl-5-dimethyl-4-methoxypyridine hydrochloride: 2-chloromethyl-5-dimethyl-4-methoxypyridine hydrochloride

B: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
In chloroform

...Expand

: 67-63-0
isopropyl alcohol

: 104916-41-8
3,5-dimethyl-4-methoxy-2-cyanopyridine

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
With sodium hydroxide; thionyl chloride; sodium nitrite; aluminum nickel In NH3 -saturated methanol; water; acetic acid

: 96300-88-8
2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine hydrochloride

: 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 15 - 30℃; for 1h;
With thionyl chloride

Raw Materials

67-63-0

695-98-7

Downstream Products

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Specification

The 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, with the CAS registry number 86604-75-3, has the systematic name of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride (1:1). It belongs to the following product categories: Heterocyclic Building Blocks; Halogenated Heterocycles; Pyridines. The molecular formula of this chemical is C₉H₁₂ClNO^.HCl. What's more, it is usually used as intermediate of omeprazole.You should be cautious while dealing with 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

The physical properties of 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride are as following:
(1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22.12 Å²; (7)Flash Point: 118.4 °C; (8)Enthalpy of Vaporization: 48.99 kJ/mol; (9)Boiling Point: 272.2 °C at 760 mmHg; (10)Vapour Pressure: 0.0103 mmHg at 25°C.

Uses of 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride:
It can react with 4,5,6,7-tetrahydrobenzimidazoline-2-thione to produce 2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1H-benzoimidazole. This reaction will need reagent NaOH, and the solvents ethanol and H₂O. The reaction time is 1 hour with temperature of 90°C, and the yield is about 85%.
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride can react with 4,5,6,7-tetrahydrobenzimidazoline-2-thione to produce 2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1H-benzoimidazole

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ncc(c(OC)c1C)C.Cl
(2)InChI: InChI=1/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H
(3)InChIKey: LCJDHJOUOJSJGS-UHFFFAOYAO