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36961-64-5

Basic Information
CAS No.: 36961-64-5
Name: 2-(2-Chloroethoxy)Acetamide
Article Data: 2
Molecular Structure:
Molecular Structure of 36961-64-5 (2-(2-Chloroethoxy)Acetamide)
Formula: C4H8ClNO2
Molecular Weight: 137.566
Synonyms: (2-Chloroethoxy)acetamide;2-(2-Chloroethoxy)acetamide;
Density: 1.216 g/cm3
Melting Point: 72-75 °C
Boiling Point: 289.3 °C at 760 mmHg
Flash Point: 128.8 °C
PSA: 52.32000
LogP: 0.42740
Synthetic route
123-85-3

2-(2-hydroxyethoxy)-acetamide

36961-64-5

2-(2-chloroethoxy)acetamide

Conditions
ConditionsYield
With pyridine; thionyl chloride In chloroform; water91%
36961-64-5

2-(2-chloroethoxy)acetamide

303-26-4

N-(4-chlorobenzhydryl)piperazine

83881-37-2, 163837-41-0, 163837-43-2

2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetamide

Conditions
ConditionsYield
Stage #1: N-(4-chlorobenzhydryl)piperazine With tetrabutylammomium bromide; potassium carbonate In water at 25℃;
Stage #2: 2-(2-chloroethoxy)acetamide In water at 80℃;
95%
With potassium iodide; sodium chloride; sodium carbonate; sodium sulfate In di-isopropyl ether; water; toluene79.6%
120-43-4

4-ethoxycarbonylpiperazine

36961-64-5

2-(2-chloroethoxy)acetamide

ethyl 4-(2-carbamoylmethoxyethyl)piperazine-1-carboxylate

Conditions
ConditionsYield
With potassium iodide; sodium carbonate In isopropyl alcohol; toluene82%
36961-64-5

2-(2-chloroethoxy)acetamide

303-26-4

N-(4-chlorobenzhydryl)piperazine

A

dihydrochloride of 2-[2-[4-[(4-chlorophenyl) phenylmethyl-1-piperazinyl]ethoxy]acetamide

dihydrochloride of 2-[2-[4-[(4-chlorophenyl) phenylmethyl-1-piperazinyl]ethoxy]acetamide

B

83881-37-2, 163837-41-0, 163837-43-2

2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetamide

Conditions
ConditionsYield
With potassium iodide; sodium chloride; sodium carbonate In para-xylene; water; tolueneA 78.8%
B n/a
841-77-0

diphenylmethylpiperazine

36961-64-5

2-(2-chloroethoxy)acetamide

A

2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-acetamide

B

2-[2-[4-Diphenylmethyl)-1-piperazinyl]ethoxy]-acetamide dihydrochloride

2-[2-[4-Diphenylmethyl)-1-piperazinyl]ethoxy]-acetamide dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide; sodium carbonate In 5,5-dimethyl-1,3-cyclohexadiene; water; benzeneA 73%
B n/a
110-85-0

piperazine

36961-64-5

2-(2-chloroethoxy)acetamide

142-64-3

piperazine dihydrochloride

197968-56-2

2-[2-(1-piperazinyl)ethoxy]acetamide

Conditions
ConditionsYield
With ammonium hydroxide In methanol; ethanol; dichloromethane; water; butanone57.1%
110-85-0

piperazine

36961-64-5

2-(2-chloroethoxy)acetamide

197968-56-2

2-[2-(1-piperazinyl)ethoxy]acetamide

Conditions
ConditionsYield
With ammonium hydroxide In toluene39%
36961-64-5

2-(2-chloroethoxy)acetamide

(+)-1-<(4-chlorophenyl)phenylmethyl>piperazine

(+)-2-(2-<4-<(4-chlorophenyl)phenylmethyl>-1-piperazinyl>ethoxy)acetamide

Conditions
ConditionsYield
With sodium carbonate; potassium iodide In toluene
36961-64-5

2-(2-chloroethoxy)acetamide

(-)-1-<(4-chlorophenyl)phenylmethyl>piperazine

(-)-2-(2-<4-<(4-chlorophenyl)phenylmethyl>-1-piperazinyl>ethoxy)acetamide

Conditions
ConditionsYield
With sodium carbonate; potassium iodide In toluene
120-43-4

4-ethoxycarbonylpiperazine

36961-64-5

2-(2-chloroethoxy)acetamide

ethyl (2-carbamoylmethoxyethyl)piperazine-1-carboxylate

Conditions
ConditionsYield
With potassium iodide; sodium carbonate In ethyl acetate; isopropyl alcohol; toluene
Raw Materials
123-85-3
Downstream Products
83881-37-2
197968-56-2
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    Product name: 2-(2-Chloroethoxy)Acetamide CAS No: 36961-64-5 Purity: 98% Molecular Formula: C4H8ClNO2 Molecular Weight: 137.56 Appearance: White powder Storage:Store in cool and dry place, away from sun light. Package:25KG/Drum Application:Synt

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Specification

The 2-(2-Chloroethoxy)acetamide with the CAS number 36961-64-5 is also called Acetamide,2-(2-chloroethoxy)-. Its molecular formula is C4H8ClNO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.58; (8)ACD/KOC (pH 7.4): 9.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 30.73 cm3; (15)Molar Volume: 113.1 cm3; (16)Polarizability: 12.18×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Enthalpy of Vaporization: 52.86 kJ/mol; (19)Vapour Pressure: 0.00222 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)COCCCl
(2)InChI: InChI=1/C4H8ClNO2/c5-1-2-8-3-4(6)7/h1-3H2,(H2,6,7)
(3)InChIKey: KQHRCXCLILUNBX-UHFFFAOYAD