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N,N-Dimethyloctylamine
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Name

N,N-Dimethyloctylamine

 EINECS 230-939-3
CAS No. 7378-99-6 Density 0.783 g/cm3
PSA 3.24000 LogP 2.90850
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 Molecular Structure of 7378-99-6 (N,N-Dimethyloctylamine) Hazard Symbols ToxicT,CorrosiveC
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;

Article Data 58

N,N-Dimethyloctylamine Synthetic route

7378-99-6

N,N-dimethyloctanamide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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.
111-87-5

octanol

124-40-3

dimethyl amine

7378-99-6

N,N-dimethyloctanamide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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.
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
ConditionsYield
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.

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,

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