[ CAS No. 625-50-3 ] {[proInfo.proName]}

Name: 625-50-3|N-Ethylacetamide|98%
Brand: Ambeed
SKU: A990358
Price: 10.0 USD
Availability: InStock
Rating: 90 (32 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 625-50-3

Structure of 625-50-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 625-50-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 625-50-3 ]

SDS Specification

Alternatived Products of [ 625-50-3 ]

Product Details of [ 625-50-3 ]

CAS No. :	625-50-3	MDL No. :	MFCD00009029
Formula :	C₄H₉NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PMDCZENCAXMSOU-UHFFFAOYSA-N
M.W :	87.12	Pubchem ID :	12253
Synonyms :

Calculated chemistry of [ 625-50-3 ] Expand+

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	24.34
TPSA :	29.1 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.3
Log Po/w (XLOGP3) :	-0.09
Log Po/w (WLOGP) :	0.14
Log Po/w (MLOGP) :	0.08
Log Po/w (SILICOS-IT) :	-0.04
Consensus Log Po/w :	0.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.19
Solubility :	56.1 mg/ml ; 0.644 mol/l
Class :	Very soluble
Log S (Ali) :	-0.07
Solubility :	74.3 mg/ml ; 0.853 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.96
Solubility :	9.64 mg/ml ; 0.111 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 625-50-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P270-P301+P312+P330-P501	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 625-50-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 625-50-3 ]

[ 625-50-3 ] Synthesis Path-Downstream 1~102

1
[ 60-35-5 ]
[ 74-96-4 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
74%	With potassium hydroxide In 1,4-dioxane at 60℃; for 8h;
	at 200 - 220℃;
	With ammonia; potassium amide

at 200 - 220℃;

Reference： [1]Sukata, Kazuaki [Bulletin of the Chemical Society of Japan, 1985, vol. 58, # 3, p. 838 - 843]
[2]Nicholas; Erickson [Journal of the American Chemical Society, 1926, vol. 48, p. 2175] Erickson [Chemische Berichte, 1926, vol. 59, p. 2668]
[3]White; Morrison; Anderson [Journal of the American Chemical Society, 1924, vol. 46, p. 967]
[4]White; Morrison; Anderson [Journal of the American Chemical Society, 1924, vol. 46, p. 967] Nicholas; Erickson [Journal of the American Chemical Society, 1926, vol. 48, p. 2175]

2
[ 96-29-7 ]
[ 1187-58-2 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	With phosphorus pentachloride durch 'Beckmannsche Umlagerung';
	With iodine In acetonitrile for 2h; Reflux;

Reference： [1]Hantzsch [Chemische Berichte, 1891, vol. 24, p. 4021]
[2]Location in patent: experimental part Ganguly, Nemai C.; Mondal, Pallab [Synthesis, 2010, # 21, p. 3705 - 3709]

3
[ 108-24-7 ]
[ 625-50-3 ]
[ 1563-83-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid In decalin

Reference： [1]Franchimont; Dubsky [Recueil des Travaux Chimiques des Pays-Bas, 1911, vol. 30, p. 192][Chemisches Zentralblatt, 1911, vol. 82, # I, p. 207] Park et al. [Journal of the American Chemical Society, 1952, vol. 74, p. 1010]
[2]Naumov,Yu.A. et al. [Journal of applied chemistry of the USSR, 1974, vol. 47, p. 1945 - 1947][Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1974, vol. 47, p. 1888 - 1890]

4
[ 108-24-7 ]
[ 75-04-7 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	With copper-manganese catalyst; ammonia; hydrogen at 270℃;
	With copper-manganese catalyst; ammonia; hydrogen at 270℃;
	With copper-manganese catalyst; ammonia; hydrogen at 270℃;

Reference： [1]Current Patent Assignee: I.G.Farbenind. - FR761932, 1934, A [Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 187][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 187]
[2]Current Patent Assignee: I.G. FARBENINDUSTRIE AG (historic) - US2166971, 1933, A
[3]Current Patent Assignee: I.G. FARBENINDUSTRIE AG (historic) - DE599103, 1934, C [Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 189][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 189]

5
[ 75-04-7 ]
[ 64-19-7 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
94%	With ammonium peroxydisulfate; tetrabutylammomium bromide; potassium hydroxide In water at 20℃; for 3h; Irradiation;	72 Example 72: Acetylethylamine 0.2 mmol of ammonium persulfate, 1 mmol of acetic acid, 1 mmol of ethylamine, 0.3 mmol of TBAB, 2 mmol of potassium hydroxide and 3 mL of water were added to the reaction vessel, and 5 W was placed at room temperature. The mixture was reacted for 3 h in a photocatalytic reactor, and the product was extracted with ethyl acetate and water and concentrated.The product was purified by column chromatography to give a white solid.The yield was 94%.
	With hydrogenchloride In water for 24h; Ambient temperature; relative reactivities of various amines towards EDC-activated acetic acid under competitive conditions at pH 5.0 and room temperature;
	With tetrachlorosilane; benzene

Stage #1: ethylamine; acetic acid In cyclohexane Autoclave; Cooling with ice; Stage #2: In cyclohexane at 267℃; for 0.00805556h; Autoclave; Microwave irradiation;

2 Example 2; Preparation of N-ethylacetamideWhile cooling with ice, 1.8 kg of ethylamine (40 mol) were introduced by means of a dropping funnel into a solution consisting of 3.5 kg of cyclohexane and 2.4 kg of acetic acid (40 mol) in a 10 l Büchi stirred autoclave with gas inlet tube, stirrer, internal thermometer and pressure equalizer. In a strongly exothermic reaction, the N-ethylammonium acetate formed.The ammonium salt thus obtained was pumped through the reaction tube continuously at 6.0 l/h at a working pressure of 25 bar and exposed to a microwave power of 2.5 kW, 91% of which was absorbed by the reaction mixture. The residence time of the reaction mixture in the irradiation zone was approx. 29 seconds. At the end of the reaction tube, the reaction mixture had a temperature of 267° C.A conversion of 92% of theory was attained. The reaction product was slightly yellowish in color and contained <2 ppm of iron. After distillative removal of cyclohexane and water of reaction, 2.3 kg of N-ethylacetamide were obtained with a purity of 94%.

Reference： [1]Current Patent Assignee: FUJIAN MEDICAL UNIVERSITY - CN110218158, 2019, A Location in patent: Paragraph 0093
[2]Kuroki; Kanesaka; Yamada; Imoto [Chemical and Pharmaceutical Bulletin, 1987, vol. 35, # 10, p. 4203 - 4207]
[3]Jur'ew et al. [Zhurnal Obshchei Khimii, 1959, vol. 29, p. 2594,2595, 2596; engl. Ausg. S. 2557, 2558]
[4]Current Patent Assignee: CLARIANT AG - US2011/92722, 2011, A1 Location in patent: Page/Page column 9

6
[ 623-76-7 ]
[ 64-19-7 ]
[ 625-50-3 ]

Reference： [1]Helvetica Chimica Acta,1946,vol. 29,p. 1441

7
[ 75-36-5 ]
[ 625-50-3 ]
[ 1563-83-3 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; toluene at 60℃;

Reference： [1]Olson; Feldman [Journal of the American Chemical Society, 1937, vol. 59, p. 2003]

8
[ 109-92-2 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia; nickel at 260℃;

Reference： [1]Reppe et al. [Justus Liebigs Annalen der Chemie, 1956, vol. 601, p. 81,104]

9
[ 78-93-3 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen azide; sulfuric acid; benzene
	With (triphenyl phosphite)gold(I) chloride; trimethylsilylazide; silver trifluoromethanesulfonate; trifluoroacetic acid In dichloromethane; water at 0 - 20℃; for 28h; Schlenk technique; Inert atmosphere;

Reference： [1]Sanford et al. [Journal of the American Chemical Society, 1945, vol. 67, p. 1941]
[2]Hurtado-Rodrigo, Cesar; Hoehne, Stefanie; Munoz, Maria Paz [Chemical Communications, 2014, vol. 50, # 12, p. 1494 - 1496]

10
[ 1000-84-6 ]
[ 625-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	With ethyl bromide at 150℃;

Reference： [1]Heyns; v.Bebenburg [Chemische Berichte, 1953, vol. 86, p. 278,285]

11
[ 111-24-0 ]
[ 625-50-3 ]
[ 93476-00-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride; toluene

Reference： [1]Park et al. [Journal of the American Chemical Society, 1952, vol. 74, p. 1010]

12
[ 625-50-3 ]
N-ethyl-N-pentyl-acetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride; toluene anschliessendes Erhitzen mit Pentylbromid;

Reference： [1]Park et al. [Journal of the American Chemical Society, 1952, vol. 74, p. 1010]

13
[ 624-48-6 ]
[ 625-50-3 ]
[ 685-55-2 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide
	With di-tert-butyl peroxide at 154 - 158℃;

Reference： [1]Nikishin,G.I. et al. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1967, p. 1969 - 1973][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1967, p. 2056 - 2061]
[2]Nikishin,G.I.; Mustafaev,R.I. [Doklady Chemistry, 1964, vol. 158, p. 1069 - 1071][Doklady Akademii Nauk SSSR, 1964, vol. 158, p. 1127 - 1129]

14
[ 107-18-6 ]
[ 625-50-3 ]
[ 691-97-4 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide
	With di-tert-butyl peroxide at 154 - 158℃;

15
[ 292638-85-8 ]
[ 625-50-3 ]
[ 689-36-1 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide
	With di-tert-butyl peroxide at 155 - 160℃;

16
[ 57399-97-0 ]
[ 625-50-3 ]
{4-[(N-Ethyl-acetimidoyl)-amino]-phenyl}-carbamic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With trichlorophosphate In toluene

Reference： [1]Current Patent Assignee: BAYER AG - DE2029298, 1971, A1 [Chem.Abstr., 1972, vol. 76, # 72265][Chem.Abstr., 1972, vol. 76, # 72265]

17
[ 592-76-7 ]
[ 625-50-3 ]
[ 871-05-6 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide
	With di-tert-butyl peroxide at 154 - 158℃;

18
[ 75-77-4 ]
[ 625-50-3 ]
[ 23138-72-9 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine
	With triethylamine In toluene

Reference： [1]Lutsenko,I.F. et al. [Journal of Organometallic Chemistry, 1969, vol. 17, p. 241 - 262]
[2]Davies,J.S. et al. [Journal of the Chemical Society. Perkin transactions I, 1973, p. 2614 - 2618]

19
[ 4206-67-1 ]
[ 625-50-3 ]
[ 2943-84-2 ]