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Cas Database |
| Name |
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride |
EINECS | -0 |
| CAS No. | 86604-75-3 | Density | N/A |
| PSA | 22.12000 | LogP | 3.24780 |
| Solubility | Soluble in water. | Melting Point |
128-131 °C(lit.) |
| Formula | C9H12ClNO.HCl | Boiling Point | 272.2 °C at 760 mmHg |
| Molecular Weight | 222.114 | Flash Point | 118.4 °C |
| Transport Information | UN 3261 | Appearance | White to off White crystalline powder with irritating odour |
| Safety | 26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride |
Article Data | 17 |
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 |
- 86604-78-6
(4-methoxy-3,5-dimethylpyridin-2-yl)methanol
B
- 86604-75-3
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride
| Conditions | Yield |
|---|---|
| In chloroform |
- 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 | 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 | Yield |
|---|---|
| With thionyl chloride In dichloromethane at 15 - 30℃; for 1h; | |
| With thionyl chloride |
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride 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%.
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
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