- 2-(Chloromethyl)-3,4-dimethoxypyridine
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Cas Database |
| Name |
2-(Chloromethyl)-3,4-dimethoxypyridine |
EINECS | N/A |
| CAS No. | 169905-10-6 | Density | 1.185 g/cm3 |
| PSA | 121.70000 | LogP | 3.26110 |
| Solubility | N/A | Melting Point |
155 °C (dec.)(lit.)
|
| Formula | C8H10ClNO2 | Boiling Point | 257.8 °C at 760 mmHg |
| Molecular Weight | 187.626 | Flash Point | 109.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-61 | Risk Codes |
 Xn,N:; |
| Molecular Structure |
|
Hazard Symbols | R21/22-38-41-43-48/22-51/53:; |
| Synonyms |
2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE;2-(CHLOROMETHYL)-3,4-DIMETHOXY PYRIDINE HCL;2-CHLOROMETHYL-3,4-DIMETHOXY PYRIDINE HYDROCHLORIDE;Pyridine, 2-(chloromethyl)-3,4-dimethoxy- (9CI);2-(ChloroMethyl)-3;4-diMethoxypyridine hydrochloride |
Article Data | 4 |
2-(Chloromethyl)-3,4-dimethoxypyridine Synthetic route
- 72830-08-1
2-hydroxymethyl-3,4-dimethoxypyridine
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| With thionyl chloride In dichloromethane | 88% |
| With thionyl chloride In dichloromethane | 88% |
| With thionyl chloride In dichloromethane at 25℃; for 2h; |
- 72830-07-0
3,4-dimethoxy-2-methylpyridine N-oxide
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-dimethoxy-2-methylpyridine N-oxide With p-toluenesulfonyl chloride In dichloromethane at 20℃; for 1h; Stage #2: With triethylamine In dichloromethane at 20℃; for 2h; | |
| 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 |
- 102625-99-0
2-acetoxymethyl-3,4-dimethoxypyridine
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 2N aq. NaOH / methanol / 2 h / 25 °C 2: SOCl2 / CH2Cl2 / 2 h / 25 °C View Scheme |
- 121-33-5
vanillin
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In acetone at 20℃; for 20h; | 98% |
- 100-02-7
4-nitro-phenol
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol at 20℃; for 3h; | 95.1% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 3h; Reflux; | 90.7% |
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 102625-64-9
pantoprazole sulfide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; isopropyl alcohol at 20℃; for 3h; | 87.8% |
| With sodium hydroxide In water Flow reactor; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetone at 50℃; for 15h; | 85% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetone at 25 - 30℃; for 15h; | 85% |
- 769-28-8
3-Cyano-4,6-dimethyl-2(1H)-pyridon
- 169905-10-6
2-(chloromethyl)-3,4-dimethoxypyridine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine; zinc(II) oxide; zinc(II) chloride In 1,4-dioxane at 110℃; Inert atmosphere; | 80% |
2-(Chloromethyl)-3,4-dimethoxypyridine Specification
The Pyridine,2-(chloromethyl)-3,4-dimethoxy-, with the CAS registry number 169905-10-6, is also known as 2-Chloromethyl-3,4-dimethoxy pyridine hydrochloride. This chemical's molecular formula is C8H10ClNO2 and molecular weight is 187.6235. Its systematic name is called 2-(chloromethyl)-3,4-dimethoxypyridine.
Physical properties of Pyridine,2-(chloromethyl)-3,4-dimethoxy-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 7.81; (6)ACD/BCF (pH 7.4): 8.47; (7)ACD/KOC (pH 5.5): 148.11; (8)ACD/KOC (pH 7.4): 160.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 47.46 cm3; (14)Molar Volume: 158.3 cm3; (15)Surface Tension: 36.7 dyne/cm; (16)Density: 1.184 g/cm3; (17)Flash Point: 109.7 °C; (18)Enthalpy of Vaporization: 47.54 kJ/mol; (19)Boiling Point: 257.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0229 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nccc(OC)c1OC
(2)InChI: InChI=1/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3
(3)InChIKey: ZWFCXDBCXGDDOM-UHFFFAOYAV
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