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

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Name

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

EINECS 221-707-2
CAS No. 3204-68-0 Density N/A
PSA 0.00000 LogP 0.45770
Solubility almost transparency Melting Point 134-138 °C
Formula C15H18ClN Boiling Point N/A
Molecular Weight 247.768 Flash Point N/A
Transport Information N/A 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 N/A
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;

Article Data 6

Benzenemethanaminium,N,N-dimethyl-N-phenyl-, chloride (1:1) Synthetic route

100-44-7

benzyl chloride

121-69-7

N,N-dimethyl-aniline

3204-68-0

benzyldimethylphenylammonium chloride

Conditions
ConditionsYield
In diethyl ether for 72h; Ambient temperature;15%
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-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%
26864-21-1

5'-O-benzylpyridoxine

3204-68-0

benzyldimethylphenylammonium chloride

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
22902-67-6

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

3204-68-0

benzyldimethylphenylammonium chloride

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%
3204-68-0

benzyldimethylphenylammonium chloride

280762-56-3

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

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%
93-84-5

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

3204-68-0

benzyldimethylphenylammonium chloride

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%
3204-68-0

benzyldimethylphenylammonium chloride

252987-06-7

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

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;
109-00-2

3-HYDROXYPYRIDINE

3204-68-0

benzyldimethylphenylammonium chloride

76509-17-6

3-benzyloxypyridine

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

4-nitro-phenol

3204-68-0

benzyldimethylphenylammonium chloride

1145-76-2

benzyl 4-nitrophenyl ether

Conditions
ConditionsYield
With sodium hydroxide
106-44-5

p-cresol

3204-68-0

benzyldimethylphenylammonium chloride

834-25-3

4-methylphenyl benzyl ether

Conditions
ConditionsYield
With sodium hydroxide

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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