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2862-39-7

Basic Information
CAS No.: 2862-39-7
Name: B-DIMETHYLAMINOETHYL BROMIDE HYDROBROMIDE
Molecular Structure:
Molecular Structure of 2862-39-7 (B-DIMETHYLAMINOETHYL BROMIDE HYDROBROMIDE)
Formula: C4H11Br2N
Molecular Weight: 232.946
Synonyms: Ethanamine,2-bromo-N,N-dimethyl-, hydrobromide (9CI);Ethylamine, 2-bromo-N,N-dimethyl-,hydrobromide (6CI,7CI,8CI);(2-Bromoethyl)dimethylamine hydrobromide;2-(Dimethylamino)ethyl bromide hydrobromide;2-(N,N-Dimethylamino)ethyl bromidehydrobromide;2-Dimethylamino-1-bromoethane hydrobromide;N,N-Dimethyl-beta-bromoethylamine hydrobromide;Ethanamine,2-bromo-N,N-dimethyl-, hydrobromide (1:1);
EINECS: 220-680-4
Melting Point: 188.5-188.9 °C(Solv: ethyl acetate (141-78-6); ethanol, 95% (64-17-5)(8:5))
Boiling Point: 121.7 °C at 760 mmHg
Flash Point: 27.4 °C
PSA: 3.24000
LogP: 1.90100
Synthetic route
108-01-0

2-(N,N-dimethylamino)ethanol

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

Conditions
ConditionsYield
With hydrogen bromide at 0℃; und folgendes Kochen;
2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

138335-08-7

(3R,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-7-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

138337-25-4, 138383-41-2

cis-3-hydroxy-1-<2-(dimethylamino)ethyl>-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one

Conditions
ConditionsYield
With barium dihydroxide; benzyltrimethylammonium chloride In dichloromethane; water for 16h;93%

2-ethyl-4-methyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

N-(4-(1-(2-(dimethylamino)ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)-2-ethyl-4-methyloxazole-5-carboxamide

Conditions
ConditionsYield
Stage #1: 2-ethyl-4-methyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In N,N-dimethyl-formamide; mineral oil at 20℃; for 21.5h;
90%
33543-78-1

ethyl 1H-imidazole-2-carboxylate

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

1-(2-(dimethylamino)ethyl)-1H-imidazole-2-carboxylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: ethyl 1H-imidazole-2-carboxylate With potassium carbonate In acetonitrile for 0.5h;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In acetonitrile at 80℃; for 3h;
87.7%
Stage #1: ethyl 1H-imidazole-2-carboxylate With potassium carbonate In acetonitrile for 0.5h;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In acetonitrile at 80℃; for 3h;
87.7%

2,4-dimethyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

N-(4-(1-(2-(dimethylamino)ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)-2,4-dimethyloxazole-5-carboxamide

Conditions
ConditionsYield
Stage #1: 2,4-dimethyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In N,N-dimethyl-formamide; mineral oil at 20℃; for 21.5h;
86%

2-isopropyl-4-methyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

N-(4-(1-(2-(dimethylamino)ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)-2-isopropyl-4-methyloxazole-5-carboxamide

Conditions
ConditionsYield
Stage #1: 2-isopropyl-4-methyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)oxazole-5-carboxamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In N,N-dimethyl-formamide; mineral oil at 20℃; for 21.5h;
83%

(S)-4-(3,4-dimethoxybenzyl)-3-(3-hydroxybenzyl)oxazolidin-2-one

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

(S)-4-(3,4-dimethoxybenzyl)-3-(3-(2-(dimethylamino)ethoxy)benzyl)oxazolidin-2-one

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 50℃;79%
2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

108-95-2

phenol

13468-02-5

dimethyl(2-phenoxyethyl)amine

Conditions
ConditionsYield
With sodium hydride In diethyl ether; N,N-dimethyl-formamide for 15h; Ambient temperature;78%
2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

C19H17ClN2O2

C23H26ClN3O2

Conditions
ConditionsYield
Stage #1: C19H17ClN2O2 With sodium hydride In N,N-dimethyl-formamide; mineral oil at 40℃; for 0.5h;
Stage #2: 2-(dimethylamino)ethyl bromide hydrobromide In N,N-dimethyl-formamide; mineral oil at 40℃;
78%
328002-54-6

3-allyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

2862-39-7

2-(dimethylamino)ethyl bromide hydrobromide

1239648-04-4

C24H31N3OS

Conditions
ConditionsYield
With potassium hydroxide In butanone at 70℃; for 16h; Inert atmosphere;75%
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Specification

The 2-Bromo-N,N-dimethylethanaminium bromide, with the CAS registry number 2862-39-7, is also known as N,N-Dimethyl-beta-bromoethylamine hydrobromide. Its EINECS number is 220-680-4. This chemical's molecular formula is C4H11Br2N and formula weight is 232.94. What's more, its IUPAC name is 2-bromoethyl(dimethyl)azanium bromide. Its classification code is Drug/Therapeutic Agent.

Physical properties of 2-Bromo-N,N-dimethylethanaminium bromide are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 12.89; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 27.4 °C; (12)Enthalpy of Vaporization: 35.98 kJ/mol; (13)Boiling Point: 121.7 °C at 760 mmHg; (14)Vapour Pressure: 14.4 mmHg at 25°C.

Uses of 2-Bromo-N,N-dimethylethanaminium bromide: it can be used to produce dimethyl-(2-phenoxy-ethyl)-amine at the ambient temperature. It will need reagent NaH and solvent dimethylformamide, diethyl ether with the reaction time of 15 hours. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[NH+](C)CCBr.[Br-]
(2)InChI: InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
(3)InChIKey: MFRUVSDIZTZFFL-UHFFFAOYSA-N