[ CAS No. 7403-46-5 ] {[proInfo.proName]}

Name: 7403-46-5|2-Chloro-1-methylpyridin-1-ium 4-methylbenzenesulfonate|98%
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SKU: A441406
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Quality Control of [ 7403-46-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 7403-46-5 ]

Product Details of [ 7403-46-5 ]

CAS No. :	7403-46-5	MDL No. :	MFCD00011985
Formula :	C₁₃H₁₄ClNO₃S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KWNGIKVZXFFZNN-UHFFFAOYSA-M
M.W :	299.77	Pubchem ID :	10990220
Synonyms :

Safety of [ 7403-46-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 7403-46-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 7403-46-5 ]

[ 7403-46-5 ] Synthesis Path-Downstream 1~23

1
[ 109-09-1 ]
[ 80-48-8 ]
[ 7403-46-5 ]

Yield	Reaction Conditions	Operation in experiment
88%	at 80 - 85℃; for 1h;	A Preparation of 2-chloro-N-methylpyridinium tosylate In a 25 ml round-bottomed flask topped with a condenser, 2-chloropyridine (2.3 g, 20.6 mmol) and methyl tosylate (3.83 g, 20.6 mmol) were heated at 80-85° C. for one hour.Hot toluene (15 ml) was then added before the mixture was cooled and crystallized.The whole mixture was left stirring for 10 minutes and the mixture was left to return to room temperature.The crystallized bottom phase was recovered.The product was in the form of a white solid and was obtained with a yield of 88% (5.4 g).The NMR characteristics were the following:1H NMR (300 MHz, CDCl3): 2.26 (s, 3H); 4.35 (s, 3H); 7.04 (d, J=8 Hz, 2H); 7.56 (d, J=8 Hz, 2H); 7.85-7.91 (m, 2H); 8.38-8.44 (m, 1H); 9.34 (d, J=5.3 Hz, 1H).13C NMR (75 MHz, CDCl3): Primaries: 21.3; 47.8. Secondaries: - Tertiaries: 125.7; 126.7 (2C); 128.8 (2C); 129.5; 149.6; 154.5. Quaternaries: 140.1; 143.4; 147.4.
	With benzene
	at 70℃; for 6h;

at 60℃; for 16h; Inert atmosphere; Neat (no solvent);

Reference： [1]Current Patent Assignee: SOLVAY; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - US2009/234151, 2009, A1 Location in patent: Page/Page column 7
[2]Marvel; Scott; Amstutz [Journal of the American Chemical Society, 1929, vol. 51, p. 3640]
[3]Yu, Chu-Yi; Taylor, David L.; Meth-Cohn, Otto [Tetrahedron Letters, 1999, vol. 40, # 36, p. 6661 - 6664]
[4]Location in patent: experimental part Woo, Jacqueline C.S.; Cui, Sheng; Walker, Shawn D.; Faul, Margaret M. [Tetrahedron, 2010, vol. 66, # 26, p. 4730 - 4737]

2
[ 42967-76-0 ]
[ 7403-46-5 ]
[ 129263-88-3 ]

Yield	Reaction Conditions	Operation in experiment
53%	In methanol; chloroform at 0℃;

Reference： [1]Kato, Shinzi; Masumoto, Hiroki; Ikeda, Shin-ichi; Itoh, Masahiro; Murai, Toshiaki; Ishihara, Hideharu [Zeitschrift fur Chemie, 1990, vol. 30, # 2, p. 67 - 69]

3
[ 7403-46-5 ]
[ 13604-49-4 ]
[ 4328-22-7 ]

Yield	Reaction Conditions	Operation in experiment
77%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

4
[ 7403-46-5 ]
[ 19829-05-1 ]
[ 3253-29-0 ]

Yield	Reaction Conditions	Operation in experiment
61%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

5
[ 7403-46-5 ]
[ 3514-82-7 ]
[ 29516-95-8 ]

Yield	Reaction Conditions	Operation in experiment
60%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

6
[ 7403-46-5 ]
[ 38194-90-0 ]
[ 2044-27-1 ]
[ 6079-78-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 65% 2: 62%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

7
[ 7403-46-5 ]
piperidinium O,O'-di-propylphosphorodithioate [ No CAS ]
[ 61614-88-8 ]

Yield	Reaction Conditions	Operation in experiment
65%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

8
[ 7403-46-5 ]
piperidinium O,O'-di-butylphosphorodithioate [ No CAS ]
[ 29516-90-3 ]

Yield	Reaction Conditions	Operation in experiment
63%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

9
[ 7403-46-5 ]
piperidinium diphenylphosphinothioate [ No CAS ]
[ 694-85-9 ]
[ 3096-09-1 ]

Yield	Reaction Conditions	Operation in experiment
45%	In dichloromethane at 0℃; for 0.5h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

10
[ 7403-46-5 ]
zinc bis(O,O'-diphenylphosphorodithioate) [ No CAS ]
[ 29516-95-8 ]

Yield	Reaction Conditions	Operation in experiment
5%	In tetrahydrofuran at 66℃; for 1h;
5%	In tetrahydrofuran at 66°C for 1h; TLC (ethylacetate/hexane), recrystn. from dichloromethane/hexane, elem. anal., IR, NMR;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]
[2]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

11
[ 7403-46-5 ]
silver O,O'-diphenylphosphorodithioate [ No CAS ]
[ 29516-95-8 ]

Yield	Reaction Conditions	Operation in experiment
10%	In tetrahydrofuran at 66℃; for 1h;
10%	In tetrahydrofuran at 66°C for 1h; TLC (ethylacetate/hexane), recrystn. from dichloromethane/hexane, elem. anal., IR, NMR;

12
[ 7403-46-5 ]
piperidinium O,O'-di-cyclohexylphosphorodithioate [ No CAS ]
bis(O,O'-di-cyclohexylphosphorothioyl) sulfide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

13
[ 7403-46-5 ]
piperidinium O,O'-diphenylphosphorodithioate [ No CAS ]
[ 29516-95-8 ]

Yield	Reaction Conditions	Operation in experiment
66%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

14
[ 7403-46-5 ]
piperidinium O,O'-di-p-tolylphosphorodithioate [ No CAS ]
[ 2044-27-1 ]
[ 34789-58-7 ]

Yield	Reaction Conditions	Operation in experiment
1: 61% 2: 59%	In dichloromethane at 0℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

15
[ 7403-46-5 ]
piperidinium O,O'-di-m-tolylphosphorodithioate [ No CAS ]
[ 34789-57-6 ]

Yield	Reaction Conditions	Operation in experiment
54%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

16
[ 7403-46-5 ]
piperidinium O,O'-di-4-chorobenzenephosphorodithioate [ No CAS ]
bis(O,O'-di-4-chlorobenzenephosphorothioyl) sulfide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

17
[ 7403-46-5 ]
piperidinium O,O'-di-4-methoxybenzenephosphorodithioate [ No CAS ]
bis(O,O'-di-4-methoxybenzenephosphorothioyl) sulfide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

18
[ 7403-46-5 ]
piperidinium O,O'-di-2-methoxybenzenephosphorodithioate [ No CAS ]
bis(O,O'-di-2-methoxybenzenephosphorothioyl) sulfide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	In dichloromethane at 30℃; for 1h;

Reference： [1]Min, Shi; Ishihara, Hideharu; Murai, Toshiaki; Kato, Shinzi [Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 2, p. 153 - 157]

19
[ 3433-56-5 ]
[ 7403-46-5 ]
1-Methyl-2-[2-phenyl-2-(1-pyrrolidinyl)ethenyl]pyridinium hexafluoro-phosphate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ammonium hexafluorophosphate In acetonitrile at 80℃;

Reference： [1]Yu, Chu-Yi; Taylor, David L.; Meth-Cohn, Otto [Tetrahedron Letters, 1999, vol. 40, # 36, p. 6661 - 6664]

20
[ 7403-46-5 ]
C₁₄H₁₄NO⁽¹⁺⁾*F₆P^(1-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: NH₄PF₆ / acetonitrile / 80 °C 2: cc. HCl / 3 h / Heating

Reference： [1]Yu, Chu-Yi; Taylor, David L.; Meth-Cohn, Otto [Tetrahedron Letters, 1999, vol. 40, # 36, p. 6661 - 6664]

21
[ 170989-07-8 ]
[ 170989-00-1 ]
[ 7403-46-5 ]
[ 5439-14-5 ]
[ 170988-19-9 ]

Yield	Reaction Conditions	Operation in experiment
	With tributyl-amine In dichloromethane	47.b 3-(4-methoxybenzyl)-7-methyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine, and 1-(4-methoxybenzyl)-7-methyl-4(5H),10-dioxo-1H-1,2,3-triazolo[4,5-c][1]benzazepine (b) To a solution of the 3:2 mixture of 4-(2-amino-4-methylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-5-carboxylic acid and 5-(2-amino-4-methylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-4-carboxylic acid (2.2 g, 6 mmole) in methylene chloride (30 ml) under ice-cooling were added under the argon atmosphere tributylamine (1.57 ml, 6.6 mmole), 2-chloro-1-methylpyridinium p-toluenesulfonate (2.16 g, 7.2 mmole) and 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (1.16 g, 7.8 mmole) in this sequence, and the mixture was stirred at room temperature for 1 hour and further at 50° C. for 1 hour. The reaction mixture was diluted with ethyl acetate and water, and resulting precipitates were collected by filtration, washed with diethyl ether, and desiccated to give a 3:2 mixture of 3-(4-methoxybenzyl)-7-methyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine (Example 4, d-1) and 1-(4-methoxybenzyl)-7-methyl-4(5H),10-dioxo-1H-1,2,3-triazolo[4,5-c][1]benzazepine (Example 4, d-2) as a pale yellow crystalline powder (0.9 g, 43%).

Reference： [1]Current Patent Assignee: MEIJI HOLDINGS CO., LTD - US5686442, 1997, A

22
[ 170989-70-5 ]
[ 7403-46-5 ]
[ 5439-14-5 ]
3-(4-methoxybenzyl)-7-methoxycarbonyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tributyl-amine In dichloromethane	24.d c-2 (MP); (d) Under the argon atmosphere, to a solution of 4(2-amino-4-methoxycarbonylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-5-carboxylic acid (c-1) (410 mg, 1.0 mmole) in methylene chloride (10 ml) were added under ice-cooling tributylamine (262 μl, 1.1 mmole), 2-chloro-1-methylpyridinium p-toluenesulfonate 360 mg, 1.2 mmole) and 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one (185 mg, 1.25 mmole) in this sequence, and the mixture was stirred at room temperature for 5 hours. The reaction mixture was diluted with methylene chloride and water, and the mixture was stirred under ice-cooling for 15 minutes. Precipitates were collected by filtration, washed with water, a saturated aqueous sodium hydrogen carbonate solution and a saturated aqueous saline, and desiccated to give 3-(4-methoxybenzyl)-7-methoxycarbonyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine (d-1: LP) as a pale yellow powder (100 mg, 25.5%). d-1 (LP); 1 H-NMR (DMSO-d6): δ3.72 (3H, s), 3.91 (3H, s), 6.08 (2H, s), 6.90 (2H, d), 7.32 (2H, d), 7.80 (1H, d), 8.20 (1H, s), 8.33 (1H, d), 11.66 (1H, s). FDMS: m/z 392 (M+).

Reference： [1]Current Patent Assignee: MEIJI HOLDINGS CO., LTD - US5686442, 1997, A

23
[ 7403-46-5 ]
[ 58086-67-2 ]

Yield	Reaction Conditions	Operation in experiment
90%	With potassium fluoride In acetonitrile for 1h; Reflux;	D Preparation of 2-fluoro-N-methylpyridinium tosylate from 2-chloro-N-methylpyridinium tosylate In a 50 ml round-bottomed flask topped with a condenser, 2-chloro-Nmethylpyridinium tosylate (4.77 g, 15.9 mmol) was dissolved in 20 ml of acetonitrile.Added to this solution was “spray dried” potassium fluoride (1.02 g, 17.5 mmol, 1.1 eq.) previously dried under a reduced pressure of around 20 mmHg at high temperature.The whole mixture was refluxed for one hour.The potassium chloride was filtered over a Büchner funnel after cooling the solution.The filtrate was concentrated under a reduced pressure of around 20 mmHg, then was redissolved in 100 ml of dichloromethane.The mixture was filtered again which made it possible to remove the excess potassium fluoride.The filtrate was concentrated again under a reduced pressure of around 20 mmHg.The solid recovered was then finely ground in methyl t-butyl ether for one hour then the mixture was filtered.The product was in the form of a yellow solid and was obtained with a yield of 90%.The NMR characteristics were the following:1H NMR (300 MHz, CDCl3): 2.31 (s, 3H); 4.29 (d, J=3.8 Hz, 3H); 7.10 (d, J=8 Hz, 2H); 7.58 (d, J=8 Hz, 2H); 7.62 (dd, J=8.4 Hz, J=4.2 Hz, 1H); 7.79 (m, 1H); 8.52 (m, 1H); 9.07 (m, 1H).13C NMR (75 MHz, CDCl3) Primaries: 21.3; 42.0 (d, J=5.3 Hz). Secondaries: - Tertiaries: 114.0 (d, J=19.9 Hz); 124.3 (d, J=3.8 Hz); 125.8 (2C); 128.8 (2C); 145.8 (d, J=7.7 Hz); 150.9 (d, J=11 Hz). Quaternaries: 139.9; 142.6; 158.6 (d, J=278.3 Hz).

Reference： [1]Current Patent Assignee: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; SOLVAY - US2009/234151, 2009, A1 Location in patent: Page/Page column 7-8

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P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 7403-46-5 ] {[proInfo.proName]}

Quality Control of [ 7403-46-5 ]

Related Doc. of [ 7403-46-5 ]

Product Details of [ 7403-46-5 ]

Safety of [ 7403-46-5 ]

Application In Synthesis of [ 7403-46-5 ]

[ 7403-46-5 ] Synthesis Path-Downstream 1~23

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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