2-Chloromethyl-3,4-dimethoxypyridinium chloride supplier

Name
2-Chloromethyl-3,4-dimethoxypyridinium chloride
EINECS 416-440-5
CAS No. 72830-09-2
Article Data10
CAS DataBase
Density
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
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);
PSA 32.60000
LogP -1.73930

Synthetic route

: 72830-08-1
2-hydroxymethyl-3,4-dimethoxypyridine

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

Conditions

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

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

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

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

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

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

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

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

: 3,4-dimethoxy-2-{[(4-nitrophenyl)thio]methyl}pyridine

Conditions

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

Conditions	Yield
With potassium carbonate; potassium iodide In ethanol; acetone at 45℃; for 4h;	91%

: 871882-17-6
2,2'-dithiol-5,5'-bis-1H,1'H-benzimidazole

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 1075188-15-6
2,2'-di-[[(3,4-dimethoxy)pyridin-2-yl]methylenethio]-5,5'-bis-1H,1'H-benzimidazole

Conditions

Conditions	Yield
Stage #1: 2,2'-dithiol-5,5'-bis-1H,1'H-benzimidazole With sodium hydroxide In ethanol; water for 0.5h; Stage #2: 2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride In ethanol; water for 8h; Reflux;	89%

: 354-38-1
2,2,2-trifluoroacetamide

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: N-((3,4-dimethoxypyridin-2-yl)methyl)-2,2,2-trifluoroacetamide

Conditions

Conditions	Yield
Stage #1: 2,2,2-trifluoroacetamide With caesium carbonate In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride In tetrahydrofuran at 65℃; for 16h; Inert atmosphere;	57%

: 5638-76-6
betahistine

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: [(2-pyridyl)-2-ethyl]-[(3,4-dimethoxy-2-pyridyl)methyl]-N-methylamine

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran for 72h; Reflux;	56%

: 5747-48-8
11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: C25H26N4O2S

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 0.5h; Sonication;	55%

: 2-(4-(2-(2-aminoethoxy)ethoxy)phenyl)-4H-chromen-4-one

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 2-(4-(2-(2-(bis((3,4-dimethoxypyridin-2-yl)methyl)amino)ethoxy)ethoxy)phenyl)-4H-chromen-4-one

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Reflux;	52%

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 765-30-0
Cyclopropylamine

: N-[(3,4-dimethoxypyridin-2-yl)methyl]cyclopropylamine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 58℃; for 1.5h;	42%

: 97963-64-9
5-Difluoromethoxy-6-fluoro-1H-benzoimidazole-2-thiol

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 138786-84-2
5-Difluoromethoxy-2-(3,4-dimethoxy-pyridin-2-ylmethylsulfanyl)-6-fluoro-1H-benzoimidazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 50℃; for 2h;

: 97963-65-0
5-difluoromethoxy-2-mercapto-6-methoxy-1H-benzimidazole

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 102625-65-0
5-difluoromethoxy-6-methoxy-2-[(3,4-dimethoxy-pyridin-2-yl)methylthio]-1H-benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 50℃; for 2h;

: 102625-84-3
2-mercapto-5-(2,2,2-trifluoroethoxy)-1H-benzimidazole

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 138786-82-0
2-[(3,4-dimethoxy-pyridin-2-yl)methylthio]-5-(2,2,2-trifluoroethoxy)-1H-benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 50℃; for 2h;

: 97967-01-6
2,2-difluoro-6-mercapto-5H-[1,3]dioxolo-[4,5-f]benzimidazole

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 102625-75-2
2,2-difluoro-6-[(3,4-dimethoxy-2-pyridyl)methylthio]-5H-[1,3]-dioxolo-[4,5-f]benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 60℃; for 4h;
With sodium hydroxide In ethanol; water

: 97963-60-5
2-mercapto-5-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 102625-63-8
2-[(3,4-dimethoxy-pyridin-2-yl)methylthio]-5-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 50℃; for 2h;
With sodium hydroxide In ethanol; water

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 123470-47-3
5,6-difluoro-1H-benzo[d]imidazole-2-thiol

: 2-(3,4-Dimethoxy-pyridin-2-ylmethylsulfanyl)-5,6-difluoro-1H-benzoimidazole

Conditions

Conditions	Yield
With sodium hydroxide In methanol

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl-1-oxide)methylsulfonyl]-1H-benzoimidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium bicarbonate / CHCl3 1.2: 84 percent / m-chloroperbenzoic acid / 2.42 h / 5 °C 2.1: 98.44 percent / potassium carbonate / dimethylformamide / 20 °C 3.1: m-chloroperbenzoic acid / CH2Cl2 / 2.67 h / 0 °C View Scheme

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl-1-oxide)methylsulfinyl]-1H-benzoimidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium bicarbonate / CHCl3 1.2: 84 percent / m-chloroperbenzoic acid / 2.42 h / 5 °C 2.1: 98.44 percent / potassium carbonate / dimethylformamide / 20 °C 3.1: m-chloroperbenzoic acid / CH2Cl2 / 2.67 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / dichloromethane / 2 h / 20 - 30 °C 2: acetic acid; dihydrogen peroxide; copper(II) hydroxide phosphate / 5 h / 45 °C View Scheme

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 953787-51-4
5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl-1-oxide)methyl]sulfanyl]-1H-benzoimidazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium bicarbonate / CHCl3 1.2: 84 percent / m-chloroperbenzoic acid / 2.42 h / 5 °C 2.1: 98.44 percent / potassium carbonate / dimethylformamide / 20 °C View Scheme

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: Harmful Xn,Xi Dangerous 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

Product Name

2-Chloromethyl-3,4-dimethoxypyridinium chloride

Synthetic route

2-Chloromethyl-3,4-dimethoxypyridinium chloride Chemical Properties

2-Chloromethyl-3,4-dimethoxypyridinium chloride Safety Profile

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