N,N-Dimethyloctylamine supplier

Name
N,N-Dimethyloctylamine
EINECS 230-939-3
CAS No. 7378-99-6
Article Data58
CAS DataBase
Density 0.783 g/cm³
Solubility slightly soluble in water
Melting Point -57 °C
Formula C₁₀H₂₃N
Boiling Point 191.643 °C at 760 mmHg
Molecular Weight 157.299
Flash Point 65 °C
Transport Information UN 2922 8/PG 3
Appearance clear liquid
Safety 26-45-36/37/39-27
Risk Codes 25-37/38-41-34-36
Molecular Structure
Hazard Symbols T,C
Synonyms Octylamine,N,N-dimethyl- (6CI,7CI,8CI);1-(Dimethylamino)octane;Adma 8;Dimethyl-n-octylamine;Dimethyloctylamine;Farmin DM 0898;Farmin DM 08P;N,N-Dimethyl-1-octanamine;N,N-Dimethyl-n-octylamine;N-Octyl-N,N-dimethylamine;N-Octyldimethylamine;NSC 63928;Octyldimethylamine;
PSA 3.24000
LogP 2.90850

Synthetic route

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With triethyl borane; phenylsilane; sodium hydroxide In tetrahydrofuran; tert-butyl methyl ether at 20℃; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction;	94%
With triethyl borane; phenylsilane; sodium hydroxide In tetrahydrofuran; tert-butyl methyl ether at 20℃; for 48h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	94%
With water; sodium; sodium chloride In hexane; mineral oil at 0℃; for 3h; Inert atmosphere;	37%
With diethyl ether; diisobutylaluminium hydride
With hydrogen In 1,2-dimethoxyethane at 70℃; under 22502.3 Torr; for 18h; Autoclave; Molecular sieve; chemoselective reaction;

: 111-83-1
1-bromo-octane

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene for 72h; Autoclave;	90%

: 124-13-0
Octanal

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With hydrogen In water; tert-butyl alcohol at 120℃; under 30003 Torr; for 24h;	90%

: 111-83-1
1-bromo-octane

: 506-59-2
N,N-dimethylammonium chloride

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 100℃; for 24h;	85.2%

: 67-56-1
methanol

: 111-86-4
n-Octylamine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) at 100℃;	100%
With 5percent silver supported on titanium oxide at 25℃; for 6h; Inert atmosphere; UV-irradiation; Sealed tube;	99%
With [Cp*Ir(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole)Cl][Cl]; caesium carbonate at 120℃; for 12h; Schlenk technique;	93%

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

Conditions

Conditions	Yield
With γ-Al2O3 In gaseous matrix at 280℃; Yield given; Yields of byproduct given;
With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen at 110℃; under 30003 Torr; for 24h; Glovebox;	A 7 %Spectr. B n/a
With platinum on carbon; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Reagent/catalyst; Inert atmosphere; Autoclave;	A 64 %Chromat. B 23 %Chromat.

...Expand

: 111-87-5
octanol

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With hydrogen; fused iron catalyst at 250 - 265℃; under 15001.2 - 22501.8 Torr; Mechanism; other alcohols;	87%
fused iron catalyst at 250 - 265℃; under 15001.2 - 22501.8 Torr;	87%
With C19H32Cl2IrN2; potassium carbonate In water at 120℃; for 40h; Reagent/catalyst; Time; Temperature; Sealed tube; Green chemistry;	83%

: 2605-78-9
octyldimethylamine oxide

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
Stage #1: octyldimethylamine oxide With N,N-Dimethylthiocarbamoyl chloride In dichloromethane at 20℃; for 2h; Stage #2: In acetonitrile for 3h; Reflux;	92%
With trimethylacetic formic anhydride In chloroform 1.) 0 deg C, 10 min, 2.) 0 deg C to r.t., 30 min; Yield given;

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

C: n-octylmethanimine

Conditions

Conditions	Yield
With platinum on carbon; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Reagent/catalyst; Inert atmosphere; Autoclave;	A 47 %Chromat. B 29 %Chromat. C 12 %Chromat.

...Expand

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

C: 1120-48-5
n-dioctylamine

Conditions

Conditions	Yield
With rhodium contaminated with carbon; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Inert atmosphere; Autoclave;	A 62 %Chromat. B 11 %Chromat. C 5 %Chromat.

...Expand

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

C: 4455-26-9
methyldioctylamine

Conditions

Conditions	Yield
With platinum on zirconia; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Reagent/catalyst; Inert atmosphere; Autoclave;	A 18 %Chromat. B 35 %Chromat. C 20 %Chromat.

...Expand

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

C: 1120-48-5
n-dioctylamine

D: n-octylmethanimine

Conditions

Conditions	Yield
With platinum-doped magnesium oxide; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Reagent/catalyst; Inert atmosphere; Autoclave;	A 56 %Chromat. B 18 %Chromat. C 10 %Chromat. D 12 %Chromat.

...Expand

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 2439-54-5
N-methyl-N-octylamine

C: 1120-48-5
n-dioctylamine

D: 4455-26-9
methyldioctylamine

Conditions

Conditions	Yield
With iridium on carbon; sodium hydroxide at 150℃; under 750.075 Torr; for 36h; Reagent/catalyst; Inert atmosphere; Autoclave;	A 55 %Chromat. B 14 %Chromat. C 6 %Chromat. D 12 %Chromat.

...Expand

: 2439-54-5
N-methyl-N-octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 4455-26-9
methyldioctylamine

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride In tetrahydrofuran at 180℃; for 7h;	A 11 % Chromat. B 85%

: 50-00-0
formaldehyd

: 111-86-4
n-Octylamine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In hexane; water at 50℃; for 5h;	98%

: Methyl-octyl-carbamic acid methyl ester

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 0.5h; Heating;	82%

: 463-11-6
1-Fluoro-octane

: 110-18-9
N,N,N,N,-tetramethylethylenediamine

A: 111-85-3
1-Chlorooctane

B: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With phenylmagnesium chloride In tetrahydrofuran at 80℃; for 24h; Inert atmosphere;	A 22 %Chromat. B n/a

...Expand

: 67-56-1
methanol

: 111-86-4
n-Octylamine

A: 7378-99-6
N,N-dimethyloctanamide

B: 4455-26-9
methyldioctylamine

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride at 180℃; for 7h;	A 12 % Chromat. B 75%

...Expand

: 592-76-7
1-Heptene

: 107-31-3
Methyl formate

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); dodecacarbonyl-triangulo-triruthenium; water; triphenylphosphine In N,N-dimethyl-formamide at 170℃; for 6h; Autoclave; Green chemistry;

...Expand

: 1118-92-9
N,N-dimethyloctamide

A: 111-87-5
octanol

B: 7378-99-6
N,N-dimethyloctanamide

C: 124-40-3
dimethyl amine

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); ytterbium(III) trifluoromethanesulfonate nonohydrate; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 150℃; under 3750.38 Torr; for 15h; Autoclave;	A n/a B 11 %Chromat. C n/a

...Expand

: 124-13-0
Octanal

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; water at 60℃; for 12h; Temperature; Time; Inert atmosphere;	82%

: 629-27-6
1-Iodooctane

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With ethanol at 100℃;
With PS-triphenylphosphine; di-isopropyl azodicarboxylate In tetrahydrofuran

: 2439-54-5
N-methyl-N-octylamine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 82 percent / LiAlH4 / tetrahydrofuran / 0.5 h / Heating View Scheme

: N'-Eth-(E)-ylidene-N,N-dimethyl-N-octyl-hydrazinium; iodide

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 0.5h; Heating; Yield given;

: N'-Eth-(E)-ylidene-N,N-dimethyl-N-octyl-hydrazinium; bromide

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 0.5h; Heating; Yield given;

: 111-85-3
1-Chlorooctane

: 124-40-3
dimethyl amine

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
In water at 140 - 150℃;

: Dimethyl-octyl-(2-phosphanyl-ethyl)-ammonium; iodide

A: 7378-99-6
N,N-dimethyloctanamide

B: 6569-82-0
phosphirane

Conditions

Conditions	Yield
With potassium hydroxide at 20℃; for 2h;

: 111-85-3
1-Chlorooctane

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

A: 111-65-9
octane

B: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
With bis(cyclopentadienyl)titanium dichloride; sodium tetrahydroborate 1.) 96 deg C, 1 h, 2.) 40 deg C, 7 h; Yield given. Yields of byproduct given;

...Expand

: 1118-92-9
N,N-dimethyloctamide

A: 111-86-4
n-Octylamine

B: 111-65-9
octane

C: 111-87-5
octanol

D: 7378-99-6
N,N-dimethyloctanamide

E: 124-07-2
Octanoic acid

Conditions

Conditions	Yield
With hydrogen; Cu-Cr at 260 - 300℃; under 760 Torr; Product distribution;	A 3.9 % Chromat. B 1.8 % Chromat. C 2.9 % Chromat. D 91.8 % Chromat. E 1.1 % Chromat.

...Expand

: 42976-83-0
1-bromooct-4-ene

: 7378-99-6
N,N-dimethyloctanamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzene 2: (hydrogenation) View Scheme

: 7378-99-6
N,N-dimethyloctanamide

: 77382-63-9
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-bromoacetate

: N,N-dimethyl-(3β-acetate-cholest-5-ene)-N-octylammonium bromide

Conditions

Conditions	Yield
In acetonitrile for 2h; Reflux;	99%

: 26127-08-2
(1R,2S,5R)-1-(chloromethoxy)-2-isopropyl-5-methylcyclohexane

: 7378-99-6
N,N-dimethyloctanamide

: ((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxymethyl)-dimethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In hexane at 20℃; for 0.5h; Menschutkin reaction;	98.5%

: 7378-99-6
N,N-dimethyloctanamide

: 2605-78-9
octyldimethylamine oxide

Conditions

Conditions	Yield
With dihydrogen peroxide; benzonitrile; Mg-Al-O-t-Bu HT (Catalyst B) In methanol; water at 65℃; for 0.5h; Product distribution / selectivity;	98%
With aluminum oxide; Oxone In water at 80℃; Product distribution; Further Variations:; Reagents; Oxidation;	96%
With dihydrogen peroxide; sodium dodecylbenzenesulfonate; layered double hydroxide WO4(2-) at 20℃; for 1h;	95%
With dihydrogen peroxide In methanol; water	78%

: 7378-99-6
N,N-dimethyloctanamide

: 3344-70-5
1,12-dibromododecane

dodecylene-1,12-bis(dimethyloctylammonium bromide): dodecylene-1,12-bis(dimethyloctylammonium bromide)

Conditions

Conditions	Yield
In acetonitrile at 82℃; for 48h; Menshutkin Reaction;	98%
In ethanol Reflux;	75%

: 7378-99-6
N,N-dimethyloctanamide

: 49791-06-2
1-chloromethoxy-heptane

: Heptyloxymethyl-dimethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	95%

: 7378-99-6
N,N-dimethyloctanamide

: 3587-62-0
chloromethyl cyclohexyl ether

: Cyclohexyloxymethyl-dimethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	95%

: 1120-71-4
1,3-propanesultone

: 7378-99-6
N,N-dimethyloctanamide

: C13H30NO3S(1+)*HO4S(1-)

Conditions

Conditions	Yield
In ethyl acetate at 55℃; for 3h;	95%

: 7378-99-6
N,N-dimethyloctanamide

: bromoacetyl 5α-cholestan-3β-oate

: N,N-dimethyl-(3β-acetate-5β-cholestan)-N-octylammonium bromide

Conditions

Conditions	Yield
In acetonitrile for 2h; Reflux;	95%

: 7378-99-6
N,N-dimethyloctanamide

: N-[4,4′-bis(chloromethyl)biphenyl-2-yl]-4,5-dichloro-1,2-thiazole-3-carboxamide

: N,N′-{{2-[(4,5-dichloro-1,2-thiazol-3-yl)carbonylamino]biphenyl-4,4′-diyl}dimethanediyl}bis-(N,N-dimethyloctan-1-aminium) dichloride

Conditions

Conditions	Yield
In acetonitrile for 4h; Reflux;	95%

: 7378-99-6
N,N-dimethyloctanamide

: (E)-2-chloro-N-(4-(3-(2,6-difluorophenyl)acryloyl)phenyl)acetamide

: (E)-N-(2-((4-(3-(2,6-difluorophenyl)acryloyl)phenyl)amino)-2-oxoethyl)-N,N-dimethyloctan-1-aminium chloride

Conditions

Conditions	Yield
In acetonitrile at 85℃; for 24h; Sealed tube; High pressure;	95%

: 939791-33-0
1-(bromomethyl)-4-(prop-1-en-2-yl)cyclohexene

: 7378-99-6
N,N-dimethyloctanamide

: (4R)-N,N-dimethyl-N-{[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}octylammonium bromide

Conditions

Conditions	Yield
In benzene at 20℃;	95%

: 19416-65-0
1-chloromethoxy-pentane

: 7378-99-6
N,N-dimethyloctanamide

: Dimethyl-octyl-pentyloxymethyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	94%

: 7378-99-6
N,N-dimethyloctanamide

: 24566-91-4
1-chloromethoxy-nonane

: Dimethyl-nonyloxymethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	94%

: 7378-99-6
N,N-dimethyloctanamide

: 24566-92-5
1-chloromethoxy-decane

: Decyloxymethyl-dimethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	94%

: 7378-99-6
N,N-dimethyloctanamide

: 58567-17-2
chloromethoxy-cyclooctane

: Cyclooctyloxymethyl-dimethyl-octyl-ammonium; chloride

Conditions

Conditions	Yield
In n-heptane for 0.166667h; Heating;	94%

N,N-Dimethyloctylamine Specification

The N,N-Dimethyloctylamine, with the CAS registry number 7378-99-6, is also known as Octyldimethylamine. Its EINECS registry number is 230-939-3. This chemical's molecular formula is C₁₀H₂₃N and molecular weight is 157.30. What's more, both its IUPAC name and systematic name are the same which is called N,N-Dimethyloctan-1-amine. It should be stored in a cool, dry and well-ventilated place.

Physical properties about N,N-Dimethyloctylamine are: (1)ACD/LogP: 3.685; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 10.20; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 52.099 cm³; (15)Molar Volume: 200.856 cm³; (16)Polarizability: 20.654×10^-24cm³; (17)Surface Tension: 26.493 dyne/cm; (18)Density: 0.783 g/cm³; (19)Flash Point: 65 °C; (20)Enthalpy of Vaporization: 42.784 kJ/mol; (21)Boiling Point: 191.643 °C at 760 mmHg; (22)Vapour Pressure: 0.5090 mmHg at 25°C.

Preparation of N,N-Dimethyloctylamine: this chemical can be prepared by methanol with octylamine. This reaction needs reagent RuCl₂(PPh₃)₃ at temperature of 180 °C. The reaction time is 7 hours. The yield is 90 %.

N,N-Dimethyloctylamine can be prepared by methanol with octylamine.

Uses of N,N-Dimethyloctylamine: (1) it is used as an intermediate in the manufacture of quaternary ammonium compounds; (2) it is used to produce other chemicals. For example, it can react with 3,6-dichloro-pyridazine to get (6-chloro-pyridazin-3-yl)-methyl-octyl-amine. The reaction occurs with solvent tetrahydrofuran at temperature of 100 °C for 4 days. The yield is 38 %.

N,N-Dimethyloctylamine can react with 3,6-dichloro-pyridazine to get (6-chloro-pyridazin-3-yl)-methyl-octyl-amine.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What's more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you must take off immediately all contaminated clothing. In case of contacting with eyes or skin, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N(CCCCCCCC)(C)C
(2) InChI: InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3
(3) InChIKey: UQKAOOAFEFCDGT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	162mg/kg (162mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0573838,

Product Name

N,N-Dimethyloctylamine

Synthetic route

N,N-Dimethyloctylamine Specification

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