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Cas Database

Name	N,N-Diethylpropionamide	EINECS	N/A
CAS No.	1114-51-8	Density	0.87 g/cm³
PSA	20.31000	LogP	1.26480
Solubility	N/A	Melting Point	-22oC
Formula	C₇H₁₅NO	Boiling Point	194.3 °C at 760 mmHg
Molecular Weight	129.202	Flash Point	73.6 °C
Transport Information	N/A	Appearance	colorless clear liquid
Safety	36	Risk Codes	20/21/22
Molecular Structure		Hazard Symbols	Xn
Synonyms	Propionamide,N,N-diethyl- (6CI,7CI,8CI);Diethylpropionamide;N,N-Diethylpropanamide;NSC 105;	Article Data	33

N,N-Diethylpropionamide Synthetic route

: 802294-64-0
propionic acid

: 109-89-7
diethylamine

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
Stage #1: propionic acid With niobium pentachloride In dichloromethane Stage #2: diethylamine In dichloromethane at 45 - 50℃; for 2.5h;	84%
With tetrachlorosilane; benzene
(i) 4-dimethylamino-but-3-yn-2-one, THF, (ii) /BRN= 605268/; Multistep reaction;

: 4231-35-0
methyl(diethylamino)acetylene

: 621-07-8
N,N-dibenzylhydroxylamine

A: 1114-51-8
N,N-diethylpropanamide

B: 100-52-7
benzaldehyde

C: 100-46-9
benzylamine

Conditions

Conditions	Yield
In tetrahydrofuran for 0.5h; Ambient temperature;	A 80% B 10% C 7%

: 79-03-8
propionyl chloride

: 996-50-9
N,N-diethyl-1,1,1-trimethylsilanamine

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
In hexane for 5h; Ambient temperature;	71%

: 925-90-6
ethylmagnesium bromide

: C17H37NOP(1+)*Cl(1-)

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
With bis(triphenylphosphine)nickel(II) chloride In tetrahydrofuran at 20℃; for 2h;	58%

: 3555-94-0
isocyanatoethene

: 4231-35-0
methyl(diethylamino)acetylene

A: 1114-51-8
N,N-diethylpropanamide

B: 82639-26-7
4-(diethylamino)-3-methyl-2-pyridinone

C: 82639-27-8
2-(diethylamino)-3-methyl-4-pyridinone

D: 82639-25-6
N-(ethenylcarbamoyl)-4-(diethylamino)-3-methyl-2-pyridinone

Conditions

Conditions	Yield
In diethyl ether Mechanism; Product distribution; Ambient temperature; vinyl isothiocyanate, var. mol. ratio of Educts;	A 15.5% B 15.5% C 42% D 28.5%
In diethyl ether 1.) reflux, 2.) room temp., overnight;	A 15.5% B 42% C 3.7% D 28.5%

...Expand

: 79-03-8
propionyl chloride

: 109-89-7
diethylamine

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
With benzene

: 123-62-6
propionic acid anhydride

: 109-89-7
diethylamine

: 1114-51-8
N,N-diethylpropanamide

: 3553-80-8
ethyl N,N-diethylcarbamate

: 925-90-6
ethylmagnesium bromide

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
In tetrahydrofuran

: 21954-69-8
diethyl-amidosulfurous acid methyl ester

: 802294-64-0
propionic acid

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
With pyridine

: 74-85-1
ethene

: 201230-82-2
carbon monoxide

: 109-89-7
diethylamine

: 1114-51-8
N,N-diethylpropanamide

Conditions

Conditions	Yield
With cobalt(II) formate at 250 - 380℃;

N,N-Diethylpropionamide Consensus Reports

Reported in EPA TSCA Inventory.

N,N-Diethylpropionamide Specification

The N,N-Diethylpropionamide is an organic compound with the formula C₇H₁₅NO. The IUPAC name of this chemical is N,N-diethylpropanamide. With the CAS registry number 1114-51-8, it is also named as Diethylamide of propionic acid. The product's categories are Amides; Carbonyl Compounds; Organic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about N,N-Diethylpropionamide are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.6; (5)ACD/BCF (pH 7.4): 2.6; (6)ACD/KOC (pH 5.5): 68.89; (7)ACD/KOC (pH 7.4): 68.89; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.428; (12)Molar Refractivity: 38.22 cm³; (13)Molar Volume: 148.4 cm³; (14)Polarizability: 15.15×10^-24cm³; (15)Surface Tension: 27.9 dyne/cm; (16)Density: 0.87 g/cm³; (17)Flash Point: 73.6 °C; (18)Enthalpy of Vaporization: 43.05 kJ/mol; (19)Boiling Point: 194.3 °C at 760 mmHg; (20)Vapour Pressure: 0.444 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and diethyl-trimethylsilanyl-amine. This reaction will need solvent hexane. The reaction time is 5 hours at ambient temperature. The yield is about 71%.

Uses of N,N-Diethylpropionamide: it can be used to produce diethyl-propyl-amine at temperature of 160 °C. It will need reagent H₂, catalyst Rh₆(CO)₁₆, Re₂(CO)₁₀ and solvent 1,2-dimethoxy-ethane with reaction time of 36 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(CC)CC)CC
(2)InChI: InChI=1/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
(3)InChIKey: YKOQQFDCCBKROY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
(5)Std. InChIKey: YKOQQFDCCBKROY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	770mg/kg (770mg/kg)	VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 245, 1966.

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