(3-Bromopropyl)trimethylammonium bromide supplier

Name
(3-Bromopropyl)trimethylammonium bromide
EINECS
CAS No. 3779-42-8
Article Data14
CAS DataBase
Density
Solubility
Melting Point 210 °C (dec.)(lit.)
Formula C₆H₁₅BrN^.Br
Boiling Point
Molecular Weight 261
Flash Point
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (3-Bromopropyl)trimethylammoniumbromide (6CI,7CI);1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide (9CI);Ammonium, (3-bromopropyl)trimethyl-, bromide (8CI);3-Bromo-N,N,N-trimethyl-1-propanaminium bromide;N,N,N-Trimethyl-N-3-bromopropylammonium bromide;
PSA 0.00000
LogP -1.51840

Synthetic route

: 109-64-8
1,3-dibromo-propane

: 75-50-3
trimethylamine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
In tetrahydrofuran	99%
In tetrahydrofuran for 48h; Ambient temperature;	90%
In diethyl ether; ethanol 1) 0 deg C, 1 h; 2) r.t., 3 days;	74%

: 28525-32-8
1-(3-phenoxypropyl)trimethylammonium bromide

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
With hydrogen bromide at 120℃; for 3.5h;	97%

: 6701-82-2
N,N′,N″-trimethyl-3-hydroxypropylammonium chloride

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
With hydrogen bromide

trimethylallylammonium bromide: trimethylallylammonium bromide

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
With hydrogen bromide at 160℃;

: 109-64-8
1,3-dibromo-propane

: 75-50-3
trimethylamine

A: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

B trimethylene-bis-trimethylammonium bromide: trimethylene-bis-trimethylammonium bromide

Conditions

Conditions	Yield
With ethanol; water at 55℃;

...Expand

: 3179-63-3
3-Dimethylamino-1-propanol

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: Cl- 3: HBr View Scheme

: 5930-60-9
3-hydroxypropyltrimethylammonium iodide

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl- 2: HBr View Scheme

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 900790-97-8
3-(2-nitrophenoxy)propyltrimethylammonium bromide

Conditions

Conditions	Yield
Stage #1: 2-hydroxynitrobenzene With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 3-bromo-N,N,N-trimethyl-1-propanaminium bromide In N,N-dimethyl-formamide at 125℃; for 3h;	100%

: 3-((3-methoxyphenyl)amino)propane-1-sulfonate

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 3-((3-methoxyphenyl)(3-(trimethylammonio)propyl)amino)propane-1-sulfonate

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere;	100%
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere;

: N-(5-(3-(ethylamino)phenoxy)-2-methylphenyl)acetamide

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 3-((3-(3-acetamido-4-methylphenoxy)phenyl)(ethyl)amino)-N,N,N-trimethylpropan-1-aminium

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere;	100%
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere;

: 626-67-5
N-methylcyclohexylamine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 1-trimethylammonium-3-(1-methylpiperidinium)propane dibromide

Conditions

Conditions	Yield
In isopropyl alcohol for 15h; Reflux;	96.4%

: 109-02-4
4-methyl-morpholine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: [N111C3MMor][Br]2

Conditions

Conditions	Yield
In isopropyl alcohol for 15h; Reflux;	95.22%

: 4’-pyridine-3-sulfonatopropyl-4-pyridinium

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 1’-[3-(trimethylammonium)propyl]-4’-pyridinium-1-[3-sulfonatopropyl]-4-pyridinium dibromide

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 168h; Inert atmosphere; Schlenk technique;	95%
In acetonitrile at 80℃; for 168h; Schlenk technique; Inert atmosphere;	95%

: C52H43N3O4

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: C58H57N4O4(1+)*Br(1-)

Conditions

Conditions	Yield
Stage #1: C52H43N3O4 With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: 3-bromo-N,N,N-trimethyl-1-propanaminium bromide In N,N-dimethyl-formamide at 80℃; for 4h; Inert atmosphere;	95%

: 120-75-2
2-Methylbenzothiazole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 2-methyl-3-(3-(trimethylammonio)propyl)benzo[d]thiazol-3-ium dibromide

Conditions

Conditions	Yield
In acetonitrile Reflux;	93%

: 108-89-4
picoline

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 21074-51-1
4-methyl-1-(3-(trimethylammonio)propyl)pyridin-1-ium dibromide

Conditions

Conditions	Yield
at 125℃; for 0.916667h; Inert atmosphere;	92%
In acetonitrile for 24h; Reflux;	86%
In N,N-dimethyl-formamide at 100℃; for 2h;	82%
In N,N-dimethyl-formamide	82%
In N,N-dimethyl-formamide at 100℃; for 2h;	82%

: 553-26-4
4,4'-bipyridine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 1,1‘-bis[3-(trimethylammonium)propyl]-4,4’-bipyridinium tetrabromide

Conditions

Conditions	Yield
In acetonitrile for 24h; Reflux;	92%
In dimethyl sulfoxide at 100℃; for 2h; Schlenk technique; Inert atmosphere;	70%
In dimethyl sulfoxide at 100℃; for 3h; Inert atmosphere; Schlenk technique;	68%

: (E)-2-{5-[4-(diphenylamino)phenyl]thiophene-2-yl}-3-[5-(pyridine-4-yl)thiophen-2-yl]acrylonitrile

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: C40H38N4S2(2+)*2F6P(1-)

Conditions

Conditions	Yield
Stage #1: (E)-2-{5-[4-(diphenylamino)phenyl]thiophene-2-yl}-3-[5-(pyridine-4-yl)thiophen-2-yl]acrylonitrile; 3-bromo-N,N,N-trimethyl-1-propanaminium bromide In acetonitrile for 12h; Reflux; Inert atmosphere; Stage #2: With potassium hexafluorophosphate In water; acetone for 1h;	92%

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 132557-72-3
2,3,3-trimethylindole-5-sulfonic acid

: 2,3,3-trimethyl-1-[3-(trimethylammonio)propyl]-3H-indolium-5-sulfonic acid dibromide

Conditions

Conditions	Yield
In toluene for 72h; Inert atmosphere; Reflux;	91%
In toluene at 130℃; for 72h; Inert atmosphere;	81%
In acetonitrile for 72h; Reflux;
In toluene Inert atmosphere; Reflux;

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 109-89-7
diethylamine

: 1379597-99-5
N-(3-trimethylammoniumpropyl)-diethylamine bromide hydrobromide

Conditions

Conditions	Yield
Stage #1: 3-bromo-N,N,N-trimethyl-1-propanaminium bromide; diethylamine In acetonitrile at 20 - 55℃; for 20h; Stage #2: With hydrogen bromide In acetonitrile at 20℃; pH=2;	91%

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 372515-55-4
tris(8-carboxyl-2,2,6,6-tetramethylbenzo[1,2-d;4,5-d′]bis[1,3]dithiol-4-yl)methyl radical sodium salt

: tris(8-[3-trimethylammonium]propyloxycarboxyl-2,2,6,6-tetramethylbenzo[1,2-d;4,5-d′]bis[1,3]dithiol-4-yl)methyl radical bromide

Conditions

Conditions	Yield
Stage #1: tris(8-carboxyl-2,2,6,6-tetramethylbenzo[1,2-d;4,5-d′]bis[1,3]dithiol-4-yl)methyl radical sodium salt With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 3-bromo-N,N,N-trimethyl-1-propanaminium bromide With potassium iodide In N,N-dimethyl-formamide for 15h; Inert atmosphere;	91%

: 54136-23-1
2,3,3-trimethyl-5-fluoro-3H-indole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 5-fluoro-2,3,3-trimethyl-1-(3-(trimethylammonio)propyl)-3H-indol-1-ium dibromide

Conditions

Conditions	Yield
In acetonitrile Reflux;	90%
In acetonitrile for 72h; Reflux;
In acetonitrile for 72h; Reflux;

: 38873-01-7
1-methyl-4-(4-pyridyl)pyridinium iodide

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 108228-36-0
1‘-methyl-4’-pyridinium-1-[3-(trimethylaminium)propyl]-4-pyridinium trichloride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 95℃; for 24h; Inert atmosphere; Schlenk technique;	88%
With Dowex 1X8 (Cl- form) 1.) water, 25 h, reflux; Multistep reaction;

: 31241-19-7
5-Methoxy-2,3,3-trimethyl-3H-indole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 5-methoxy-2,3,3-trimethyl-1-(3-(trimethylammonio)propyl)-3H-indolium dibromide

Conditions

Conditions	Yield
In toluene for 72h; Inert atmosphere; Reflux;	88%

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: C6H15BrN(1+)*F6P(1-)

Conditions

Conditions	Yield
With hexafluorophosphoric acid In water at 20℃; for 2h;	88%

: 110-95-2
N,N,N'N'-tetramethyl-1,3-propanediamine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: C13H33N3(2+)*2Br(1-)

Conditions

Conditions	Yield
In ethanol at 85℃; for 20h;	86%

: potassium 2,3,3-trimethylindole-5-sulfonate

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 2,3,3-trimethyl-1-[3-(trimethylammonio)propyl]-indoleninium-5-sulfonate bromide

Conditions

Conditions	Yield
at 75℃; for 72h; Inert atmosphere;	86%

: potassium 2,3,3-trimethylindole-5-sulfonate

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 2,3,3-trimethyl-1-[3-(trimethylammonium)propyl]-3H-indolinium-5-sulfonate bromide

Conditions

Conditions	Yield
In toluene at 130℃; for 72h; Inert atmosphere;	85%

: 158014-84-7
4-(dihexadecylmethyl)pyridine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: C44H86N2(2+)*2Cl(1-)

Conditions

Conditions	Yield
With Dowex (Cl- form) In ethanol Alkylation; Heating;	84%

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 90076-65-6
bis(trifluoromethane)sulfonimide lithium

: C6H15BrN(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In water for 2h;	84%

: 113995-55-4
6-sulphonato-2,3,3-trimethyl-1H-benz[e]indolenine

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 1,1,2-trimethyl-3-(3-(trimethylammonio)propyl)-1H-benzo[e]indol-3-ium-7-sulfonate

Conditions

Conditions	Yield
With 4-methyl-morpholine In 1-methyl-pyrrolidin-2-one at 75℃; for 48h; Inert atmosphere;	83%

: 25981-83-3
5-chloro-2,3,3-trimethyl-3H-indole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 5-chloro-2,3,3-trimethyl-1-(3-(trimethylammonio)propyl)-3H-indol-1-ium dibromide

Conditions

Conditions	Yield
In acetonitrile for 72h; Reflux; Inert atmosphere;	82%
In acetonitrile Reflux;	82%
In acetonitrile for 72h; Reflux;
In acetonitrile for 72h; Reflux;

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 28841-49-8
3-trimethylammonium propylamine bromide

Conditions

Conditions	Yield
With ammonium hydroxide In water for 14h; Reflux;	82%

: 54136-24-2
5-bromo-2,3,3-trimethyl-3H-indole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 5-bromo-2,3,3-trimethy'l-1-(3-(trimethylammonio)propyl)-3H-indol-1-ium dibromide

Conditions

Conditions	Yield
In acetonitrile for 72h; Reflux; Inert atmosphere;	81%
In acetonitrile Reflux;	81%
In acetonitrile for 72h; Reflux;
In acetonitrile
In acetonitrile for 72h; Reflux;

: 97193-46-9
2,5-bis(pyridine-4-yl)thiazolo[5,4-d]thiazole

: 3779-42-8
3-bromo-N,N,N-trimethyl-1-propanaminium bromide

: 4,4’-(thiazolo[5,4-d]thiazole-2,5-di-yl)bis(1-(3-(trimethylammonio)propyl)pyridin-1-ium)tetrabromide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; for 72h; Schlenk technique; Inert atmosphere;	81%
In N,N-dimethyl-formamide at 100℃; for 72h; Schlenk technique;	81%

(3-Bromopropyl)trimethylammonium bromide Specification

The CAS register number of (3-Bromopropyl)trimethylammonium bromide is 3779-42-8. It also can be called as 1-Propanaminium,3-bromo-N,N,N-trimethyl-, bromide (1:1) and the IUPAC name about this chemical is 3-bromopropyl(trimethyl)azanium bromide. It belongs to the following product categories, such as Ammonium Salts, Greener Alternatives: Catalysis, Phase Transfer Catalysts and so on.

Physical properties about (3-Bromopropyl)trimethylammonium bromide are: (1)ACD/LogP: -2.60; (2)ACD/LogD (pH 5.5): -2.6; (3)ACD/LogD (pH 7.4): -2.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3.

Preparation: this chemical can be prepared by 1,3-dibromo-propane and trimethylamine. This reaction will need reagent diethyl ether.

Uses of (3-Bromopropyl)trimethylammonium bromide: it can be used to produce (3-tert-butylperoxy-propyl)-trimethyl-ammonium; bromide with tert-butyl hydroperoxide. This reaction will need reagent KOH. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].BrCCC[N+](C)(C)
(2)InChI: InChI=1/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: NNZGNZHUGJAKKT-REWHXWOFAV
(4)Std. InChI: InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M

Product Name

(3-Bromopropyl)trimethylammonium bromide

Synthetic route

(3-Bromopropyl)trimethylammonium bromide Specification

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