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Cas Database |
| Name |
2-Chloromethyl-3,4-dimethoxypyridinium chloride |
EINECS | 416-440-5 |
| CAS No. | 72830-09-2 | Density | N/A |
| PSA | 32.60000 | LogP | -1.73930 |
| Solubility | Soluble in water | Melting Point |
155 °C (dec.)(lit.) |
| Formula | C8H11Cl2NO2 | Boiling Point | 293.9 °C at 760 mmHg |
| Molecular Weight | 224.087 | Flash Point | 131.6 °C |
| Transport Information | UN 3077 9/PG 3 | Appearance | N/A |
| Safety | 26-36/37/39-61-2 | Risk Codes | 21/22-38-41-43-48/22-51/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  N,  Xi
|
| Synonyms |
Pyridine,2-(chloromethyl)-3,4-dimethoxy-, hydrochloride (9CI); |
Article Data | 10 |
2-Chloromethyl-3,4-dimethoxypyridinium chloride Synthetic route
- 72830-08-1
2-hydroxymethyl-3,4-dimethoxypyridine
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride In dichloromethane for 2h; | 100% |
| With bis(trichloromethyl) carbonate; Triphenylphosphine oxide In toluene at 20 - 60℃; for 4h; | 98% |
| With thionyl chloride In dichloromethane at 0 - 5℃; for 2h; | 93% |
- 118-71-8
Maltol
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 8 steps 1: 68 percent / K2CO3 / acetone / 19 h / Heating 2: 77 percent / conc. ammonia / 3 h / 110 °C 3: 85 percent / POCl3 / 10 h / Heating 4: NaOMe / 10 h / Heating 5: 98 percent / 84percent m-CPBA / CH2Cl2 / 4 h / Ambient temperature 6: 4 h / 100 °C 7: 2 M NaOH / 1 h / 100 °C 8: 100 percent / SOCl2 / CH2Cl2 / 2 h View Scheme | |
| Multi-step reaction with 5 steps 1.1: ammonium hydroxide / 2 h / 40 °C 1.2: 10 h / 40 °C / Reflux 2.1: potassium hydroxide / water / 20 h / 10 - 20 °C 3.1: acetic acid; sodium tungstate; dihydrogen peroxide / 4 h / 40 - 95 °C 4.1: acetic anhydride / 4 h / Reflux 5.1: thionyl chloride / dichloromethane / 2 h / 0 - 15 °C View Scheme |
- 4780-14-7
3-methoxy-2-methyl-4-pyrone
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1: 77 percent / conc. ammonia / 3 h / 110 °C 2: 85 percent / POCl3 / 10 h / Heating 3: NaOMe / 10 h / Heating 4: 98 percent / 84percent m-CPBA / CH2Cl2 / 4 h / Ambient temperature 5: 4 h / 100 °C 6: 2 M NaOH / 1 h / 100 °C 7: 100 percent / SOCl2 / CH2Cl2 / 2 h View Scheme |
- 76015-11-7
2-methyl-3-methoxy-4(1H)-pyridinone
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 85 percent / POCl3 / 10 h / Heating 2: NaOMe / 10 h / Heating 3: 98 percent / 84percent m-CPBA / CH2Cl2 / 4 h / Ambient temperature 4: 4 h / 100 °C 5: 2 M NaOH / 1 h / 100 °C 6: 100 percent / SOCl2 / CH2Cl2 / 2 h View Scheme | |
| Multi-step reaction with 6 steps 1: 96 percent / POCl3 / 18 h / 90 °C 2: 90 percent / 30percent aq. H2O2, AcOH / 24 h / 90 °C 3: 91 percent / NaOMe / 18 h 4: 2 h / 90 °C 5: 2 N aq. NaOH / 2 h / 80 °C 6: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 5 steps 1.1: trichlorophosphate / 18 h / 90 °C / Inert atmosphere 2.1: acetic acid; dihydrogen peroxide / water / 24 h / 90 °C 3.1: methanol / 16 h / 40 °C 4.1: acetic anhydride / 2 h / 90 °C 4.2: 2 h / 80 °C 5.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C View Scheme |
- 107512-34-5
4-Chloro-3-methoxy-2-methyl-pyridine
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: NaOMe / 10 h / Heating 2: 98 percent / 84percent m-CPBA / CH2Cl2 / 4 h / Ambient temperature 3: 4 h / 100 °C 4: 2 M NaOH / 1 h / 100 °C 5: 100 percent / SOCl2 / CH2Cl2 / 2 h View Scheme | |
| Multi-step reaction with 5 steps 1: 90 percent / 30percent aq. H2O2, AcOH / 24 h / 90 °C 2: 91 percent / NaOMe / 18 h 3: 2 h / 90 °C 4: 2 N aq. NaOH / 2 h / 80 °C 5: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 4 steps 1.1: acetic acid; dihydrogen peroxide / water / 24 h / 90 °C 2.1: methanol / 16 h / 40 °C 3.1: acetic anhydride / 2 h / 90 °C 3.2: 2 h / 80 °C 4.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C View Scheme |
- 72830-07-0
3,4-dimethoxy-2-methylpyridine N-oxide
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 4 h / 100 °C 2: 2 M NaOH / 1 h / 100 °C 3: 100 percent / SOCl2 / CH2Cl2 / 2 h View Scheme | |
| Multi-step reaction with 3 steps 1: 2 h / 90 °C 2: 2 N aq. NaOH / 2 h / 80 °C 3: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: acetic anhydride / 2 h / 90 °C 1.2: 2 h / 80 °C 2.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C View Scheme | |
| Multi-step reaction with 3 steps 1: acetic acid / methanol; toluene 2: sodium hydroxide / methanol 3: thionyl chloride View Scheme |
- 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
- 102625-64-9
pantoprazole sulfide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 25 - 30℃; for 4 - 5h; | 97.5% |
| With sodium hydroxide In methanol; water at 10 - 40℃; for 2.5h; | 95.3% |
| With sodium hydroxide In methanol; water at 40 - 55℃; for 3.5h; Temperature; Solvent; | 93% |
- 1261238-09-8
tert-butyl 5-(2-mercapto-1H-benzo[d]imidazol-5-yloxy)pentylcarbamate
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
- 1261238-10-1
tert-butyl 5-(2-((3,4-dimethoxypyridin-2-yl)methylthio)-1H-benzo[d]imidazol-5-yloxy)pentylcarbamate
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 20℃; for 12h; Inert atmosphere; | 97% |
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
- 1849-36-1
para-nitrobenzenethiol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water at 20℃; for 8h; | 93.5% |
- 1319671-85-6
6-nitro-5-(piperidin-1-yl)-1H-benzimidazole-2-thiol
- 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride
- 1319671-86-7
2-[(3,4-dimethoxypyridin-2-yl)methylthio]-6-nitro-5-(piperidin-1-yl)-1H-benzimidazole
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In ethanol; acetone at 45℃; for 4h; | 91% |
2-Chloromethyl-3,4-dimethoxypyridinium chloride Chemical Properties
IUPAC Name: 2-(Chloromethyl)-3,4-dimethoxypyridin-1-ium chloride
Synonyms of 2-Chloromethyl-3,4-dimethoxypyridinium chloride (CAS NO.72830-09-2): 2-(Chloromethyl)-3,4-dimethoxypyridin-1-ium chloride
CAS NO: 72830-09-2
Molecular Formula: C8H11Cl2NO2
Molecular Weight: 224.08
Molecular Structure: 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 31.35 Å2
Flash Point: 131.6 °C
Enthalpy of Vaporization: 54.42 kJ/mol
Boiling Point: 293.9 °C at 760 mmHg
Vapour Pressure: 0.00126 mmHg at 25°C
Melting point: 155 °C (dec.)
SMILES: Cl.ClCc1nccc(OC)c1OC
InChI: InChI=1/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H
InChIKey: YYRIKJFWBIEEDH-UHFFFAOYAT
Std. InChI: InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H
Std. InChIKey: YYRIKJFWBIEEDH-UHFFFAOYSA-N
Product Categories of 2-Chloromethyl-3,4-dimethoxypyridinium chloride (CAS NO.72830-09-2): (intermediate of pantoprazole);C7 and C8Heterocyclic Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyridines
2-Chloromethyl-3,4-dimethoxypyridinium chloride Safety Profile
Safety Information of 2-Chloromethyl-3,4-dimethoxypyridinium chloride (CAS NO.72830-09-2):
Hazard Codes: 
Xn,Xi
N
Risk Statements: 21/22-38-41-43-48/22-51/53
R20/21: Harmful by inhalation and in contact with skin.
R38: Irritating to skin.
R41: Risk of serious damage to the eyes.
R43: May cause sensitization by skin contact.
R48/22: Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 26-36/37/39-61-2
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S2: Keep out of the reach of children.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
Hazard Note: Irritant
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