Product Name

  • Name

    BENZYLDIMETHYLPHENYLAMMONIUM CHLORIDE

  • EINECS 221-707-2
  • CAS No. 3204-68-0
  • Article Data6
  • CAS DataBase
  • Density
  • Solubility almost transparency
  • Melting Point 134-138 °C
  • Formula C15H18ClN
  • Boiling Point
  • Molecular Weight 247.768
  • Flash Point
  • Transport Information
  • Appearance White to off-white or ivory powder
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 3204-68-0 (BENZYLDIMETHYLPHENYLAMMONIUM CHLORIDE)
  • Hazard Symbols
  • Synonyms Ammonium,benzyldimethylphenyl-, chloride (8CI);Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (9CI);Benzyldimethylphenylammonium chloride(6CI,7CI);Benzyldimethylanilinium chloride;Dimethylbenzylanilinium chloride;Dimethylphenylbenzylammonium chloride;Leucotrope O;Leukotrope;N-Benzyl-N,N-dimethylanilinium chloride;Phenyldimethylbenzylammonium chloride;
  • PSA 0.00000
  • LogP 0.45770

Synthetic route

benzyl chloride
100-44-7

benzyl chloride

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

Conditions
ConditionsYield
In diethyl ether for 72h; Ambient temperature;15%
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

3-[3-hydroxy-4-hydroxymethyl-5-(4-methoxy-benzyloxymethyl)-pyridin-2-yl]-propionic acid 2-trimethylsilanyl-ethyl ester

3-[3-hydroxy-4-hydroxymethyl-5-(4-methoxy-benzyloxymethyl)-pyridin-2-yl]-propionic acid 2-trimethylsilanyl-ethyl ester

3-[3-benzyloxy-4-hydroxymethyl-5-(4-methoxy-benzyloxymethyl)-pyridin-2-yl]-propionic acid 2-trimethylsilanyl-ethyl ester

3-[3-benzyloxy-4-hydroxymethyl-5-(4-methoxy-benzyloxymethyl)-pyridin-2-yl]-propionic acid 2-trimethylsilanyl-ethyl ester

Conditions
ConditionsYield
With sodium ethanolate In xylene for 5h; Substitution; Heating;88%
5'-O-benzylpyridoxine
26864-21-1

5'-O-benzylpyridoxine

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

3,5'-O-dibenzylpyridoxine
25183-10-2

3,5'-O-dibenzylpyridoxine

Conditions
ConditionsYield
With sodium methylate In methanol for 0.333333h; Ambient temperature;83%
With sodium methylate In methanol
5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one
22902-67-6

5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

1,3-dibenzyl-5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one
1073560-80-1

1,3-dibenzyl-5-nitro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-one

Conditions
ConditionsYield
With sodium hydroxide In water for 7h; Heating;80%
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-3-pyridinol
280762-56-3

4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-3-pyridinol

(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-4-pyridinyl)methanol
280762-57-4

(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-4-pyridinyl)methanol

Conditions
ConditionsYield
Stage #1: benzyldimethylphenylammonium chloride With sodium ethanolate In ethanol at -78℃; for 0.333333h; Substitution;
Stage #2: 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-2-methyl-3-pyridinol In xylene for 4h; Etherification; Heating;
74%
5-nitro-2,3-dihydro-1H-benzimidazol-2-one
93-84-5

5-nitro-2,3-dihydro-1H-benzimidazol-2-one

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

1,3-dibenzyl-5-nitro-1,3-dihydrobenzimidazol-2-one
55327-66-7

1,3-dibenzyl-5-nitro-1,3-dihydrobenzimidazol-2-one

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃; for 7h; Reflux;57%
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol
252987-06-7

4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol

(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-4-pyridinyl)methanol
252987-07-8

(3-(benzyloxy)-5-{[(4-methoxybenzyl)oxy]methyl}-4-pyridinyl)methanol

Conditions
ConditionsYield
Stage #1: benzyldimethylphenylammonium chloride With sodium ethanolate In ethanol at -78℃; Substitution;
Stage #2: 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol In xylene Etherification; Heating;
30%
Stage #1: benzyldimethylphenylammonium chloride; 4-(hydroxymethyl)-5-{[(4-methoxybenzyl)oxy]methyl}-3-pyridinol With sodium ethanolate In ethanol at -78℃; Addition;
Stage #2: In xylene for 4h; Decomposition; Heating;
3-HYDROXYPYRIDINE
109-00-2

3-HYDROXYPYRIDINE

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

3-benzyloxypyridine
76509-17-6

3-benzyloxypyridine

Conditions
ConditionsYield
With methanol; sodium methylate; xylene unter Stickstoff;
4-nitro-phenol
100-02-7

4-nitro-phenol

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

benzyl 4-nitrophenyl ether
1145-76-2

benzyl 4-nitrophenyl ether

Conditions
ConditionsYield
With sodium hydroxide
p-cresol
106-44-5

p-cresol

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

4-methylphenyl benzyl ether
834-25-3

4-methylphenyl benzyl ether

Conditions
ConditionsYield
With sodium hydroxide
ethyl 1-methyl-4-oxo-piperidin-3-carboxylate
25012-72-0

ethyl 1-methyl-4-oxo-piperidin-3-carboxylate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

3-benzyl-1-methyl-4-oxo-piperidine-3-carboxylic acid ethyl ester

3-benzyl-1-methyl-4-oxo-piperidine-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With sodium hydride; benzene
pentan-1-ol
71-41-0

pentan-1-ol

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

((pentyloxy)methyl)benzene
6382-14-5

((pentyloxy)methyl)benzene

α-naphthol
90-15-3

α-naphthol

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

1-(phenylmethoxy)naphthalene
607-58-9

1-(phenylmethoxy)naphthalene

Conditions
ConditionsYield
With sodium carbonate
2-monochlorophenol
95-57-8

2-monochlorophenol

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

1-(benzyloxy)-2-chlorobenzene
949-38-2

1-(benzyloxy)-2-chlorobenzene

Conditions
ConditionsYield
With sodium hydroxide
sodium diethylmalonate
996-82-7

sodium diethylmalonate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

diethyl 2-benzylmalonate
607-81-8

diethyl 2-benzylmalonate

Conditions
ConditionsYield
at 140℃;
sodium ethanolate
141-52-6

sodium ethanolate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

potassium thioacyanate
333-20-0

potassium thioacyanate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

benzyl thiocyanate
3012-37-1

benzyl thiocyanate

Conditions
ConditionsYield
With water
potassium thioacyanate
333-20-0

potassium thioacyanate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

N-benzyl-N,N-dimethyl-anilinium; thiocyanate
97881-37-3

N-benzyl-N,N-dimethyl-anilinium; thiocyanate

Conditions
ConditionsYield
With water
potassium thioacyanate
333-20-0

potassium thioacyanate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

A

benzyl thiocyanate
3012-37-1

benzyl thiocyanate

B

Benzyl isothiocyanate
622-78-6

Benzyl isothiocyanate

C

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

Conditions
ConditionsYield
at 210 - 390℃;
sodium acetate
127-09-3

sodium acetate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

A

Benzyl acetate
140-11-4

Benzyl acetate

B

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

sodium phenoxide
139-02-6

sodium phenoxide

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

(benzyloxy)benzene
946-80-5

(benzyloxy)benzene

Conditions
ConditionsYield
at 300℃;
sodium phenoxide
139-02-6

sodium phenoxide

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

A

(benzyloxy)benzene
946-80-5

(benzyloxy)benzene

B

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

Conditions
ConditionsYield
at 300℃;
Potassium benzoate
582-25-2

Potassium benzoate

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

A

benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

B

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

9,10-phenanthrenequinone
84-65-1

9,10-phenanthrenequinone

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

10-benzyl-10-hydroxy-9(10H)-anthracenone
78787-97-0

10-benzyl-10-hydroxy-9(10H)-anthracenone

Conditions
ConditionsYield
With sodium hydroxide; sodium dithionite at 45℃;
9,10-phenanthrenequinone
84-65-1

9,10-phenanthrenequinone

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

10-Benzyl-9,10-dihydro-[9]anthrol
67074-07-1

10-Benzyl-9,10-dihydro-[9]anthrol

Conditions
ConditionsYield
With sodium hydroxide; sodium sulfate
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

sodium ethyl acetylacetate enolate
1007476-32-5

sodium ethyl acetylacetate enolate

Ethyl 2-benzylacetoacetate
620-79-1

Ethyl 2-benzylacetoacetate

Conditions
ConditionsYield
With ethanol
potassium cyanide
151-50-8

potassium cyanide

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

phenylacetonitrile
140-29-4

phenylacetonitrile

Conditions
ConditionsYield
at 130 - 230℃;
potassium cyanide
151-50-8

potassium cyanide

benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

A

phenylacetonitrile
140-29-4

phenylacetonitrile

B

N,N-dimethyl-aniline
121-69-7

N,N-dimethyl-aniline

Conditions
ConditionsYield
at 130 - 230℃;
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

benzyl methyl ether
538-86-3

benzyl methyl ether

Conditions
ConditionsYield
With potassium hydroxide at 110℃;
benzyldimethylphenylammonium chloride
3204-68-0

benzyldimethylphenylammonium chloride

dibenzyl selenide
1842-38-2

dibenzyl selenide

Conditions
ConditionsYield
With sodium selenide; water durch Erhitzen im Wasserstoffstrom;

Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1) Specification

The Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1), with the CAS registry number 3204-68-0 and EINECS registry number 221-707-2, has the systematic name of N-benzyl-N,N-dimethylanilinium chloride. And the molecular formula of this chemical is C15H18ClN. It is a kind of white to off-white or ivory powder, and belongs to the following product categories: Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds.
 
The physical properties of Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1) are as following: (1)ACD/LogP: -1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.74; (8)ACD/KOC (pH 7.4): 5.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2.

Uses of Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1): It can react with 5-benzyloxymethyl-4-hydroxymethyl-2-methyl-pyridin-3-ol to produce (3-benzyloxy-5-benzyloxymethyl-2-methyl-pyridin-4-yl)-methanol. This reaction will need reagent NaOMe, and the solvent methanol. The reaction time is 2 minutes with ambient temperature, and the yield is about 83%.

Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1) can react with 5-benzyloxymethyl-4-hydroxymethyl-2-methyl-pyridin-3-ol to produce (3-benzyloxy-5-benzyloxymethyl-2-methyl-pyridin-4-yl)-methanol

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1ccccc1[N+](C)(C)Cc2ccccc2
(2)InChI: InChI=1/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: QLRKASHXFNIPLZ-REWHXWOFAW

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