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27514-08-5

Basic Information
CAS No.: 27514-08-5
Name: N-(4-Oxocyclohexyl)acetamide
Article Data: 19
Molecular Structure:
Molecular Structure of 27514-08-5 (N-(4-Oxocyclohexyl)acetamide)
Formula: C8H13NO2
Molecular Weight: 155.197
Synonyms: 4-(Acetylamino)cyclohexanone;4-Acetamidocyclohexanone;
EINECS: 608-106-4
Density: 1.071 g/cm3
Melting Point: 137 °C
Boiling Point: 359.086 °C at 760 mmHg
Flash Point: 168.906 °C
Appearance: white crystalline powder
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 46.17000
LogP: 1.02510
Synthetic route
23363-88-4

trans-N-acetyl-4-hydroxycyclohexylamine

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
With Jones reagent In acetone at 0 - 30℃;85%
With Jones Reagens In water at 20℃;78%
With sodium dichromate; sulfuric acid In water for 0.333333h;72%
27489-60-7

N-((trans)-4-hydroxycyclohexyl)acetamide

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
With chromium(VI) oxide; sulfuric acid at 20℃; for 22h; Oxidation;74%
142080-48-6

2-(4-Acetylamino-cyclohexylideneamino)-propionamide

A

27514-08-5

N-(4-oxocyclohexyl)acetamide

B

4726-84-5

alanine amide

Conditions
ConditionsYield
With sodium hydroxide In acetonitrile at 20℃; Rate constant; Kinetics; var. temp.;
103-90-2

4-acetaminophenol

A

1124-53-4

N-cyclohexylacetamide

B

27489-60-7

N-((trans)-4-hydroxycyclohexyl)acetamide

C

27489-61-8

cis-(N-4-hydroxycyclohexyl)acetamide

D

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
With hydrogen; RuC In ethanol at 119.85℃; under 37503 Torr; Product distribution; Further Variations:; Catalysts; Solvents;
27489-62-9

trans-4-hydroxycyclohexylamine

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 97 percent / 1 h / Heating
2: 97 percent / 1M aq. NaOH / 0.5 h / 20 °C
3: 74 percent / CrO3; aq. H2SO4 / 22 h / 20 °C
View Scheme
90978-87-3

trans-4-(acetylamino)cyclohexyl acetate

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 97 percent / 1M aq. NaOH / 0.5 h / 20 °C
2: 74 percent / CrO3; aq. H2SO4 / 22 h / 20 °C
View Scheme
103-90-2

4-acetaminophenol

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2 / Raney nickel / ethanol / 3 h / 180 °C / 90500.9 Torr
2: 72 percent / sodium dichromate dihydrate, conc. H2SO4 / H2O / 0.33 h
View Scheme
With borax; hydrogen In diethylene glycol dimethyl ether
With palladium on activated charcoal; hydrogen In aq. acetate buffer at 105℃; under 4500.45 Torr; pH=10;
75-36-5

acetyl chloride

4‐aminocyclohexanone

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 20℃; for 18h;
103-90-2

4-acetaminophenol

A

23363-88-4

trans-N-acetyl-4-hydroxycyclohexylamine

B

27514-08-5

N-(4-oxocyclohexyl)acetamide

Conditions
ConditionsYield
With hydrogen In ethanol at 170℃; under 37503.8 Torr; for 0.333333h; Autoclave;
With hydrogen In ethanol at 170℃; under 37503.8 Torr; for 0.333333h; Autoclave;
27514-08-5

N-(4-oxocyclohexyl)acetamide

4-aminocyclohexan-1-one hydrochloride

Conditions
ConditionsYield
With hydrogenchloride for 6h; Heating;100%
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    Product Name :N-4-aminoacetylcyclohexanone Other name : N-(4-Oxocyclohexyl)acetamide CAS No : 27514-08-5 Molecular Formula : C8H13NO2 Chemical Structure : Primary Specification : 98% min.HPLC Appearance:Off-white powder Storage:25

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Chemistry

Molecule structure of N-(4-Oxocyclohexyl)acetamide (CAS NO.27514-08-5):

IUPAC Name: N-(4-Oxocyclohexyl)acetamide 
Molecular Weight: 155.19432 [g/mol]
Molecular Formula: C8H13NO2
Index of Refraction: 1.476
Molar Refractivity: 40.901 cm3
Molar Volume: 144.957 cm3
Surface Tension: 36.949 dyne/cm
Density: 1.071 g/cm3
Melting Point: 137 °C
Flash Point: 168.906 °C
Enthalpy of Vaporization: 60.464 kJ/mol
Boiling Point: 359.086 °C at 760 mmHg
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 4
Exact Mass: 155.094629
MonoIsotopic Mass: 155.094629
Topological Polar Surface Area: 46.2
Heavy Atom Count: 11
Canonical SMILES: CC(=O)NC1CCC(=O)CC1
InChI: InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKey: WZEMYWNHKFIVKE-UHFFFAOYSA-N
Product Categories of N-(4-Oxocyclohexyl)acetamide (CAS NO.27514-08-5): (intermediate of pramipexole); organic intermediates

Safety Profile

Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

 N-(4-Oxocyclohexyl)acetamide (CAS NO.27514-08-5) is also named as 4-N-acetyl-amino-cyclohexanone ; 4-acetamidocyclohexanone ; 4-acetamino- cyclohexanone ; N-4-acetylaminocyclohexanone ; (2-hydroxyphenyl)-(4-methylphenyl)methanone .