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CAS No.: | 247570-24-7 |
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Name: | 1-N-Boc-cis-1,4-cyclohexyldiamine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H22N2O2 |
Molecular Weight: | 214.308 |
Synonyms: | Carbamicacid, (cis-4-aminocyclohexyl)-, 1,1-dimethylethyl ester (9CI);(cis-4-Aminocyclohexyl)carbamic acid tert-butyl ester;N-tert-Butoxycarbonyl-cis-1,4-cyclohexanediamine;cis-4-((tert-Butoxycarbonyl)amino)cyclohexane-1-amine;cis-4-(tert-Butoxycarbonylamino)-1-aminocyclohexane;cis-tert-Butyl(4-aminocyclohexyl)carbamate; |
Density: | 1.03 g/cm3 |
Boiling Point: | 322.1 °C at 760 mmHg |
Flash Point: | 148.6 °C |
Solubility: | Soluble in methanol, ethyl acetate and Slightly soluble in water. |
Hazard Symbols: | Xi |
PSA: | 64.35000 |
LogP: | 2.87220 |
tert-butyl ((1S,4S)-4-(1,3-dioxoisoindolin-2-yl)cyclohexyl)carbamate
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
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With hydrazine hydrate In ethanol at 80℃; for 2h; | 96% |
di-tert-butyl dicarbonate
cis-1,4-cyclohexanediamine
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
Stage #1: cis-1,4-cyclohexanediamine With hydrogenchloride In methanol at 20℃; for 1h; Stage #2: di-tert-butyl dicarbonate In methanol at 20℃; for 1.16667h; | 66.78% |
(cis-4-azido-cyclohexyl)-carbamic acid tert-butyl ester
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
With hydrogen; 5% palladium-on-charcoal In methanol under 760.051 Torr; for 2h; | 64% |
With hydrogen; 5%-palladium/activated carbon In methanol; toluene at 20℃; under 60804.1 Torr; for 18h; | |
With hydrogen; 5%-palladium/activated carbon In methanol; toluene at 20℃; under 60804.1 Torr; for 18h; |
cis-(4-tert-butoxycarbonylamino-cyclohexyl)-carbamic acid benzyl ester
benzyl alcohol
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
With hydrogen; palladium 10% on activated carbon In ethanol | 58% |
trans-1,4-diaminocyclohexane
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
In methanol at 20℃; for 159.84h; |
(±)-cis-N1-benzyloxycarbonyl-1,4-cyclohexanediamine
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dichloromethane / 1 h 2: palladium 10% on activated carbon; hydrogen / methanol View Scheme |
cis-(4-tert-butoxycarbonylamino-cyclohexyl)-carbamic acid benzyl ester
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol |
di-tert-butyl dicarbonate
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dichloromethane / 1 h 2: palladium 10% on activated carbon; hydrogen / methanol View Scheme | |
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 3: hydrazine hydrate / ethanol / 2 h / 80 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium hydroxide / tetrahydrofuran; water / 0 - 20 °C 2: diphenyl phosphoryl azide; triethylamine / toluene / 4 h / 45 - 55 °C 3: hydrogen / palladium 10% on activated carbon / ethanol View Scheme |
trans-tert-butyl 4-hydroxycyclohexylcarbamate
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 2: hydrazine hydrate / ethanol / 2 h / 80 °C View Scheme |
trans-4-hydroxycyclohexylamine
tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere 2: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 3: hydrazine hydrate / ethanol / 2 h / 80 °C View Scheme |
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The 1-N-Boc-cis-1,4-cyclohexyldiamine, its cas register number is 247570-24-7. It also can be called as Carbamic acid,N-(cis-4-aminocyclohexyl)-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl N-(4-aminocyclohexyl)carbamate. It belongs to the N-BOC.
Physical properties about 1-N-Boc-cis-1,4-cyclohexyldiamine are: (1)#H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 64.35Å2; (5)Index of Refraction: 1.488; (6)Molar Refractivity: 60.02 cm3; (7)Molar Volume: 208.2 cm3; (8)Polarizability: 23.79x10-24cm3; (9)Surface Tension: 37.9 dyne/cm; (10) Enthalpy of Vaporization: 56.39 kJ/mol; (11)Vapour Pressure: 0.000286 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1CCC(CC1)N
(2)InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
(3)InChIKey: FEYLUKDSKVSMSZ-UHFFFAOYSA-N