Conditions | Yield |
---|---|
Stage #1: 3-Methylpyridine With hydrogenchloride at 0℃; under 760.051 Torr; for 9h; Large scale; Stage #2: With chlorine at 110 - 125℃; for 8h; Temperature; Large scale; | 93.26% |
Multi-step reaction with 4 steps 1: potassium permanganate / water / 0.5 h / 80 - 90 °C 2: sulfuric acid 3: aluminum (III) chloride; sodium tetrahydroborate / tetrahydrofuran; toluene / 0 - 5 °C 4: thionyl chloride View Scheme |
Conditions | Yield |
---|---|
With thionyl chloride at 60℃; for 16h; | 86% |
With thionyl chloride In chloroform at 0℃; Reflux; | 63.6% |
With thionyl chloride | 26.9 mg |
With thionyl chloride In methanol | 26.2 g |
With thionyl chloride In dichloromethane at 0 - 60℃; for 1.25h; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / 8 h / 0 - 20 °C 2: thionyl chloride / chloroform / 0 °C / Reflux View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sulfuric acid 2: aluminum (III) chloride; sodium tetrahydroborate / tetrahydrofuran; toluene / 0 - 5 °C 3: thionyl chloride View Scheme |
3-chloromethylpyridinium chloride
triphenylphosphine
Triphenyl-3-pyridylmethylphosphonium chloride hydrochlorides
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 140℃; for 20h; | 100% |
3-chloromethylpyridinium chloride
methyl 4-oxo-3-piperidinecarboxylate hydrochloride
methyl 4-oxo-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; sodium iodide In acetonitrile at 80℃; for 1h; | 100% |
With N-ethyl-N,N-diisopropylamine; sodium iodide In acetonitrile at 80℃; for 1h; |
sodium methylate
3-chloromethylpyridinium chloride
3-(methoxymethyl)pyridine
Conditions | Yield |
---|---|
In methanol at 20℃; for 72h; | 99% |
In dimethyl sulfoxide at 20℃; for 24h; | 64% |
2-(4-but-2-ynyloxy-phenylsulfonyl)-propionic acid ethyl ester
3-chloromethylpyridinium chloride
Conditions | Yield |
---|---|
98% |
sodium ethanolate
3-chloromethylpyridinium chloride
3-(ethoxymethyl)pyridine
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 20℃; | 98% |
In dimethyl sulfoxide at 20℃; | 98% |
3-chloromethylpyridinium chloride
Conditions | Yield |
---|---|
Stage #1: (S)-1-tert-butoxycarbonyl-2-tert-butylcarboxamide-4-benzyloxycarbonyl-piperazine With cyclohexa-1,4-diene; hydrogen; palladium on activated charcoal In ethyl acetate at 23℃; for 1h; Stage #2: 3-chloromethylpyridinium chloride With triethylamine In N,N-dimethyl-formamide at 23℃; for 22h; Stage #3: With triethylsilane; trifluoroacetic acid In dichloromethane at 23℃; for 20h; Further stages.; | 97% |
3-chloromethylpyridinium chloride
diethylamine
3-(N,N-diethylaminomethyl)pyridine
Conditions | Yield |
---|---|
In acetonitrile at -10 - 20℃; for 96h; Cooling with ice; | 97% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water | 96% |
With potassium hydroxide In benzene at 0℃; for 0.0166667h; | |
With sodium hydroxide In diethyl ether; water |
3-chloromethylpyridinium chloride
thiourea
S-(3-picolyl)isothiourea dihydrochloride
Conditions | Yield |
---|---|
In ethanol for 3h; Heating; | 95% |
In methanol for 10h; Ambient temperature; | 93% |
In ethanol Heating; |
3-chloromethylpyridinium chloride
N-[(4-methoxyphenyl)sulfonyl]-D-valine tert-butyl ester
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 48h; Ambient temperature; | 95% |
3,5-dichlorothiophenol
3-chloromethylpyridinium chloride
3-(3,5-dichloro-phenylsulfanylmethyl)-pyridine
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 20℃; | 95% |
With sodium hydroxide In ethanol; water at 20℃; | 95% |
3-chloromethylpyridinium chloride
Conditions | Yield |
---|---|
Stage #1: 3,5-dichlorothiophenol With sodium hydroxide In ethanol for 0.166667h; Stage #2: 3-chloromethylpyridinium chloride In ethanol; water at 20℃; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20 - 80℃; for 48h; | 95% |
3-chloromethylpyridinium chloride
3,3'-(2,7-dioxaoctane)-dipyridine
Conditions | Yield |
---|---|
Stage #1: Butane-1,4-diol With sodium t-butanolate In N,N-dimethyl-formamide at 0 - 20℃; for 1h; Stage #2: 3-chloromethylpyridinium chloride With sodium t-butanolate In N,N-dimethyl-formamide at -16 - 0℃; Stage #3: With water In dichloromethane Product distribution / selectivity; | 94.9% |
Stage #1: Butane-1,4-diol With potassium tert-butylate In N,N-dimethyl-formamide at 0 - 20℃; for 1 - 2h; Stage #2: 3-chloromethylpyridinium chloride With potassium tert-butylate In N,N-dimethyl-formamide at -16 - 5℃; Stage #3: With water In dichloromethane Product distribution / selectivity; | 89.9% |
Stage #1: C10H15NO2 With potassium tert-butylate In N,N-dimethyl-formamide at 0℃; Stage #2: 3-chloromethylpyridinium chloride With potassium tert-butylate In N,N-dimethyl-formamide at 5 - 6℃; Stage #3: With water In dichloromethane Product distribution / selectivity; |
Conditions | Yield |
---|---|
In ethanol for 4h; Heating; | 94% |
3-chloromethylpyridinium chloride
(2R,3R,4S,5R,6R)-2-(5-Azido-pentyloxymethyl)-4,5-bis-benzyloxy-6-methoxy-tetrahydro-pyran-3-ol
3-[(2R,3R,4S,5R,6R)-2-(5-Azido-pentyloxymethyl)-4,5-bis-benzyloxy-6-methoxy-tetrahydro-pyran-3-yloxymethyl]-pyridine
Conditions | Yield |
---|---|
Stage #1: (2R,3R,4S,5R,6R)-2-(5-Azido-pentyloxymethyl)-4,5-bis-benzyloxy-6-methoxy-tetrahydro-pyran-3-ol With sodium hydride In N,N-dimethyl-formamide at 0℃; Stage #2: 3-chloromethylpyridinium chloride With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 0℃; | 94% |
3-chloromethylpyridinium chloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol | 94% |
3-chloromethylpyridinium chloride
(Z)-5-(4-ethoxybenzylidene)-3-(pyridin-3-ylmethyl)thiazolidine-2,4-dione
Conditions | Yield |
---|---|
Stage #1: (Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 0℃; for 0.333333h; Stage #2: 3-chloromethylpyridinium chloride In N,N-dimethyl-formamide at 20℃; | 93.1% |
3-chloromethylpyridinium chloride
methyl 2(R)-[(4-methoxyphenyl)sulfonyl amino]-3-methylbutanoate
methyl 2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 93% |
tert-butyl (R)-N-(4-methoxyphenylsulfonyl)-γ-fluoro-α-aminobutanoate
3-chloromethylpyridinium chloride
tert-butyl (R)-N-(4-methoxyphenylsulfonyl)-N-(3-pyridylmethyl)-2-amino-4-fluorobutanoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h; | 93% |
3-chloromethylpyridinium chloride
phosphonic acid diethyl ester
diethyl (pyridin-3-ylmethyl)phosphonate
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran for 4h; Reflux; Inert atmosphere; | 92% |
homoalylic alcohol
3-chloromethylpyridinium chloride
3-NC5H4CH2O(CH2)2CHCH2
Conditions | Yield |
---|---|
Stage #1: homoalylic alcohol With sodium at 80℃; Inert atmosphere; Stage #2: 3-chloromethylpyridinium chloride at 80℃; for 12h; Inert atmosphere; | 92% |
3-chloromethylpyridinium chloride
aniline
N,N-bis(-pyridin-2ylmethyl)benzenamine
Conditions | Yield |
---|---|
With potassium carbonate at 50℃; for 12h; | 92% |
3-chloromethylpyridinium chloride
Diethyl methylmalonate
diethyl 2-(1-(pyridin-3-yl)propan-2-yl)malonate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 8h; | 91.2% |
Conditions | Yield |
---|---|
With triethylamine In ethanol; water; 1,2-dichloro-ethane | 91% |
tert-butyl (R)-N-(4-methoxyphenylsulfonyl)aminobutanoate
3-chloromethylpyridinium chloride
tert-butyl (R)-N-(4-methoxyphenylsulfonyl)-N-(3-pyridylmethyl)-2-aminobutanoate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 48h; | 91% |
bisphenol M
3-chloromethylpyridinium chloride
1,3-di(2-(4-(3-pyridylmethoxy)phenyl)prop-2-yl)benzene
Conditions | Yield |
---|---|
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In benzene at 80℃; for 48h; | 90.4% |
3-chloromethylpyridinium chloride
7-Chloro-4-(3,5-dimethylpyrazol-1-yl)imidazo<4,5-d>pyridazine-2-thiol
7-Chloro-4-(3,5-dimethylpyrazol-1-yl)-2-(3-picolylthio)imidazo<4,5-d>pyridazine
Conditions | Yield |
---|---|
With potassium hydroxide at 45℃; for 5h; | 90% |
Conditions | Yield |
---|---|
Stage #1: 1H-[1,2,4]triazole-3-thiol With sodium In methanol; N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 3-chloromethylpyridinium chloride In methanol; N,N-dimethyl-formamide at 20℃; | 90% |
IUPAC:3-(chloromethyl)pyridine
CAS:6959-48-4
The Molecular formula of 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):C6H7Cl2N
The Molecular Weight of 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):164.03
Synonyms:3-(chloromethyl)-pyridinhydrochloride;3-chloromethyl-pyridinhydrochloride;3-pyridylmethylchloridehydrochloride;nci-c03838;3-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE;3-(CHLOROMETHYL)-PYRIDINIUM CHLORIDE;3-PICOLYL CHLORIDE HYDROCHLORIDE;3-Picolyl chloride HCl (65% in water)
EINECS:230-150-4
Melting Point:137-143oC(lit.)
Boiling Point:210oC at 760 mmHg
Flash Point:62oC
Water Solubility:>=10 g/100 mL at 19oC
Appearance:white to yellow powder
Vapour Pressure:0.285 mmHg at 25oC
Product Categories:blocks;Pyridines;Pyridine;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;Pyridinium Compounds
Mol File:6959-48-4.mol
1. | mmo-sat 333 µg/plate | IARCCD IARC Scientific Publications. 27 (1980),283. | ||
2. | mma-sat 33,300 ng/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
3. | mma-esc 1 mg/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
4. | otr-rat:emb 640 ng/plate | JJATDK JAT, Journal of Applied Toxicology. 1 (1981),190. | ||
5. | orl-rat LD50:316 mg/kg | NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) NIH-NCI-E-C-72-3252 . | ||
6. | orl-mus LD50:316 mg/kg | NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) NIH-NCI-E-C-72-3252 . |
Suspected carcinogen with experimental carcinogenic data. Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
Safty informations about 3-(chloromethyl)-pyridinhydrochloride(6959-48-4):
Hazard Codes:Xn,C,T
Risk Statements:22-36/37/38-45-20/21/22
22(Harmful if swallowed)
36/37/38(Irritating to eyes, respiratory system and skin)
45(May cause cancer)
20/21/22(Harmful by inhalation, in contact with skin and if swallowed)
Safety Statements:26-36-53-45
26(In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
36(Wear suitable protective clothing)
53(Avoid exposure - obtain special instruction before use)
45(In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR:2811
WGK Germany:3
RTECS:US7000000
F:3-10
HazardClass:8
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