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| CAS No.: | 56077-28-2 |
|---|---|
| Name: | Ethanone, 2-bromo-1-cyclohexyl- (9CI) |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C8H13BrO |
| Molecular Weight: | 205.095 |
| Synonyms: | Ketone,bromomethyl cyclohexyl (6CI,7CI);(Bromoacetyl)cyclohexane;1-Bromo-2-cyclohexylethan-2-one;2-Bromo-1-cyclohexylethanone;Bromomethylcyclohexyl ketone;Cyclohexyl bromomethyl ketone; |
| Density: | 1.359g/cm3 |
| Melting Point: | -3.5-2 °C |
| Boiling Point: | 252.9 °C at 760mmHg |
| Flash Point: | 68.7 °C |
| PSA: | 17.07000 |
| LogP: | 2.53070 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 823-76-7
Cyclohexyl methyl ketone
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| With bromine | 100% |
| With bromine In methanol for 2h; Cooling with ice; | 100% |
| With PhCH2N(CH3)3Br3 In dichloromethane at 5 - 20℃; for 4h; | 98% |
- 75-77-4
chloro-trimethyl-silane
- 823-76-7
Cyclohexyl methyl ketone
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| Stage #1: Cyclohexyl methyl ketone With lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 1h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 3.5h; Stage #3: With N-Bromosuccinimide; sodium hydrogencarbonate In tetrahydrofuran at 0 - 20℃; for 1.17h; | 100% |
- 1271-66-5
dimethyltitanocene
- 17566-51-7
N,N-dimethylcyclohexanecarboxamide
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| Stage #1: dimethyltitanocene; N,N-dimethylcyclohexanecarboxamide In toluene at 65℃; Schlenk technique; Inert atmosphere; Stage #2: With bromine In toluene at -78℃; for 0.0333333h; Schlenk technique; Inert atmosphere; Stage #3: With water In toluene at 20℃; for 1h; Schlenk technique; Inert atmosphere; regioselective reaction; | 94% |
- 66684-39-7
(bromoethynyl)cyclohexane
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| With water; copper(II) acetate monohydrate; trifluoroacetic acid at 70℃; for 6h; chemoselective reaction; | 90% |
| With cerium(IV) sulphate; sulfuric acid; water In dichloromethane at 80℃; for 12h; Sealed tube; regioselective reaction; | 88% |
| With 2-(dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl Au bis(trifluoromethylsulfonyl)imide; water In 1,2-dichloro-ethane at 20℃; for 14h; | 87% |
| With water In 1,2-dichloro-ethane at 20℃; for 14h; | 85% |
| With indium(III) triflate; water In acetic acid at 100℃; Sealed tube; | 84% |
- 931-48-6
2-cyclohexylacetylene
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| With N,N'-ethylenethiourea; 1,3-dibromo-5,5-dimethylhydantoin; water In acetone at 45℃; | 80% |
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide; silver nitrate / acetone / 20 °C 2: water; 2-(dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl Au bis(trifluoromethylsulfonyl)imide / 1,2-dichloro-ethane / 14 h / 20 °C View Scheme |
- 31151-40-3
2-cyclohexyl-1-diazo-2-ethanone
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| With hydrogen bromide In hexane; water at 20℃; for 2h; | 78% |
| With ferric(III) bromide; silica gel In dichloromethane at 20℃; for 0.166667h; | 63% |
| With water; hydrogen bromide |
- 186581-53-3, 908094-01-9
diazomethane
- 2719-27-9
cyclohexanylcarbonyl chloride
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| (i) Et2O, (ii) HBr; Multistep reaction; |
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| With sulfuric acid; mercury(II) sulfate |
- 98-89-5
Cyclohexanecarboxylic acid
- 56077-28-2
Bromomethyl cyclohexyl ketone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: tetrahydrofuran; cyclohexane / 2 h / 0 °C 1.2: 50 percent / TMSCl; aq. HCl / tetrahydrofuran; cyclohexane / 0.5 h 2.1: 70 percent / Br2 / methanol / 3 h / 0 - 15 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: tetrahydrofuran / 2 h / 0 °C 1.2: 50 percent / TMSCl; aq. HCl / tetrahydrofuran / 0.5 h 2.1: Br2 / methanol / 3 h / below 15 deg C 2.2: 70 percent / H2O / methanol / 15 h / 20 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 2.33 h / 0 - 20 °C 2.1: dichloromethane; tetrahydrofuran / 20 °C / Cooling with ice 3.1: toluene / 65 °C / Schlenk technique; Inert atmosphere 3.2: 0.03 h / -78 °C / Schlenk technique; Inert atmosphere 3.3: 1 h / 20 °C / Schlenk technique; Inert atmosphere View Scheme |
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Specification
The Ethanone,2-bromo-1-cyclohexyl-, with the CAS registry number 56077-28-2, has the IUPAC name of 2-bromo-1-cyclohexylethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H13BrO.
The characteristics of Ethanone,2-bromo-1-cyclohexyl- are as followings: (1)XLogP3-AA 2.8 ; (2)H-Bond Donor 0 ; (3)H-Bond Acceptor 1 ; (4)Rotatable Bond Count 2 ; (5)Tautomer Count 3; (6)Exact Mass 204.014978; (7)MonoIsotopic Mass 204.014978; (8)Topological Polar Surface Area 17.1; (9)Heavy Atom Count 10; (10)Formal Charge 0; (11)Complexity 116; (12)Isotope Atom Count 0; (13)Defined Atom StereoCenter Count 0; (14)Undefined Atom StereoCenter Count 0; (15)Defined Bond StereoCenter Count 0; (16)Undefined Bond StereoCenter Count 0; (17)Covalently-Bonded Unit Count 1; (18)Feature 3D Acceptor Count 1; (19)Feature 3D Hydrophobe Count 1; (20)Feature 3D Ring Count 1.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CCC(CC1)C(=O)CBr
(2)InChI: InChI=1S/C8H13BrO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6H2
(3)InChIKey: ADLIDZNESKOPIP-UHFFFAOYSA-N