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| CAS No.: | 27514-08-5 |
|---|---|
| Name: | N-(4-Oxocyclohexyl)acetamide |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| 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 |
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- 852475-26-4MC1568
- 23363-88-4
trans-N-acetyl-4-hydroxycyclohexylamine
- 27514-08-5
N-(4-oxocyclohexyl)acetamide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 6h; Heating; | 100% |
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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 .