2-Chloro-1-methylpyridinium tosylate supplier

Name
2-CHLORO-1-METHYLPYRIDINIUM P-TOLUENESULFONATE
EINECS 231-008-4
CAS No. 7403-46-5
Article Data4
CAS DataBase
Density
Solubility almost transparency
Melting Point 125 °C
Formula C₁₃H₁₆ClNO₃S
Boiling Point
Molecular Weight 299.778
Flash Point
Transport Information
Appearance
Safety 36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-1-methylpyridinium toluene-p-sulphonate;2-Chloro-1-methyl-2H-pyridine; 4-methylbenzenesulfonic acid;2-Chloro-1-methylpyridinium p-toluenosulfonate;
PSA 69.46000
LogP 3.14440

Synthetic route

: 109-09-1
2-chloropyridine

: 80-48-8
methyl p-toluene sulfonate

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

Conditions

Conditions	Yield
at 80 - 85℃; for 1h;	88%
With benzene
at 70℃; for 6h; Methylation;
at 60℃; for 16h; Inert atmosphere; Neat (no solvent);

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 58086-67-2
1-methyl-2-fluoropyridinium p-toluenesulfonate

Conditions

Conditions	Yield
With potassium fluoride In acetonitrile for 1h; Product distribution / selectivity; Reflux;	90%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-cyclohexylphosphorodithioate

: bis(O,O'-di-cyclohexylphosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	86%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 13604-49-4
piperidinium O,O'-diethylphosphorodithioate

: 4328-22-7
O,O,O,O-tetraethyl trithiopyrophosphate

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	77%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-4-methoxybenzenephosphorodithioate

: bis(O,O'-di-4-methoxybenzenephosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	75%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-diphenylphosphorodithioate

: 29516-95-8
bis-(O,O'-diphenylphosphorothioyl)-sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	66%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 38194-90-0
piperidinium diphenylphosphinodithioate

A: 2044-27-1
1-methyl-2-pyridinethione

B: 6079-78-3
bis(diphenylphosphinothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	A 65% B 62%

...Expand

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-propylphosphorodithioate

: 61614-88-8
bis(O,O'-di-propylphosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	65%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-butylphosphorodithioate

: 29516-90-3
bis(O,O'-di-butylphosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	63%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 19829-05-1
piperidinium O,O'-di-isopropylphosphorodithioate

: 3253-29-0
O,O,O,O-tetraisopropyl pyrophosphorotrithioate

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	61%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-p-tolylphosphorodithioate

A: 2044-27-1
1-methyl-2-pyridinethione

B: 34789-58-7
bis(O,O'-di-p-tolylphosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 1h;	A 61% B 59%

...Expand

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 3514-82-7
potassium O,O'-diphenylphosphorodithioate

: 29516-95-8
bis-(O,O'-diphenylphosphorothioyl)-sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	60%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-4-chorobenzenephosphorodithioate

: bis(O,O'-di-4-chlorobenzenephosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	57%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-m-tolylphosphorodithioate

: 34789-57-6
bis(O,O'-di-m-tolylphosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	54%

: 42967-76-0
piperidinium 4-methylbenzenecarbodithiolate

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 129263-88-3
Toluene-4-sulfonate1-methyl-2-(4-methyl-thiobenzoylsulfanyl)-pyridinium;

Conditions

Conditions	Yield
In methanol; chloroform at 0℃;	53%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium diphenylphosphinothioate

A: 694-85-9
1-methyl-2-pyridone

B: 3096-09-1
diphenylphosphinothioic O-acid anhydride

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h;	A n/a B 45%

...Expand

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: piperidinium O,O'-di-2-methoxybenzenephosphorodithioate

: bis(O,O'-di-2-methoxybenzenephosphorothioyl) sulfide

Conditions

Conditions	Yield
In dichloromethane at 30℃; for 1h;	30%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: silver O,O'-diphenylphosphorodithioate

: 29516-95-8
bis-(O,O'-diphenylphosphorothioyl)-sulfide

Conditions

Conditions	Yield
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;	10%

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: zinc bis(O,O'-diphenylphosphorodithioate)

: 29516-95-8
bis-(O,O'-diphenylphosphorothioyl)-sulfide

Conditions

Conditions	Yield
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;	5%

: 3433-56-5
1-(1-phenylvinyl)pyrrolidine

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 1-Methyl-2-[2-phenyl-2-(1-pyrrolidinyl)ethenyl]pyridinium hexafluoro-phosphate

Conditions

Conditions	Yield
With ammonium hexafluorophosphate In acetonitrile at 80℃; Dehydrochlorination;

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: C14H14NO(1+)*F6P(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NH4PF6 / acetonitrile / 80 °C 2: cc. HCl / 3 h / Heating View Scheme

: 170989-07-8
5-(2-amino-4-methylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-4-carboxylic acid

: 170989-00-1
4-(2-amino-4-methylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-5-carboxylic acid

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 5439-14-5
3,4-dihydro-pyrido[1,2-a]pyrimidin-2-one

: 170988-19-9
3-(4-methoxybenzyl)-7-methyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine

Conditions

Conditions	Yield
With tributyl-amine In dichloromethane

...Expand

: 170989-70-5
4(2-amino-4-methoxycarbonylbenzoyl)-1-(4-methoxybenzyl)-1,2,3-triazole-5-carboxylic acid

: 7403-46-5
2-chloro-1-methylpyridinium p-toluenesulfonate

: 5439-14-5
3,4-dihydro-pyrido[1,2-a]pyrimidin-2-one

: 3-(4-methoxybenzyl)-7-methoxycarbonyl-4(5H),10-dioxo-3H-1,2,3-triazolo[5,4-c][1]benzazepine

Conditions

Conditions	Yield
With tributyl-amine In dichloromethane

...Expand

2-Chloro-1-methylpyridinium tosylate Specification

The 6-Chloro-1-methyl-pyridine; 4-methylbenzenesulfonic acid, with the CAS registry number 7403-46-5, is also known as 2-Chloro-1-methylpyridinium toluene-p-sulphonate. It belongs to the product categories of Condensation & Active Esterification; Pyridinium Compounds; Synthetic Organic Chemistry. Its EINECS registry number is 231-008-4. This chemical's molecular formula is C₁₃H₁₄ClNO₃S and molecular weight is 299.77. What's more, its systematic name is called 2-Chloro-1-methylpyridinium 4-methylbenzenesulfonate. It should be kept in a cold and dry place.

Physical properties about 6-Chloro-1-methyl-pyridine; 4-methylbenzenesulfonic acid are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å².

Uses of 6-Chloro-1-methyl-pyridine; 4-methylbenzenesulfonic acid: it is used to produce other chemicals. For example, it can react with Piperidinium O,O'-diethylphosphorodithioate to get 1,2-Trithio-diphosphoric acid tetra-O-ethyl ester. This reaction needs reagent CH₂Cl₂ at temperature of 30 °C. The reaction time is 1 hour. The yield is 77 %.

6-Chloro-1-methyl-pyridine can react with Piperidinium O,O'-diethylphosphorodithioate to get 1,2-Trithio-diphosphoric acid tetra-O-ethyl ester

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: C[n+]1ccccc1Cl.[O-]S(=O)(=O)c1ccc(C)cc1
(2) InChI: InChI=1/C7H8O3S.C6H7ClN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1
(3) InChIKey: KWNGIKVZXFFZNN-REWHXWOFAE

Product Name

2-CHLORO-1-METHYLPYRIDINIUM P-TOLUENESULFONATE

Synthetic route

2-Chloro-1-methylpyridinium tosylate Specification

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