• Name

  CP 47497

• EINECS
• CAS No. 70434-82-1
• Article Data2
• CAS DataBase
• Density 1.01g/cm³
• Solubility
• Melting Point
• Formula C₂₁H₃₄O₂
• Boiling Point 421.2 °C at 760 mmHg
• Molecular Weight 318.5
• Flash Point 180.7 °C
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms 2-[(1R,3S)-3-hydroxycyclohexyl]- 5-(2-methyloctan-2-yl)phenol;Phenol, 5-(1,1-dimethylheptyl)-2-(3-hydroxycyclohexyl)-, cis-;2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol;Phenol,5-(1,1-dimethylheptyl)-2-[(1R,3S)-3- hydroxycyclohexyl]-,rel-;3-(4-(1,1-Dimethylheptyl)-2-hydroxyphenyl)cyclohexanol;1-(2,3-Dihydro-1h-Inden-5-Yl)Propan-2-Amine;
• PSA 40.46000
• LogP 5.65870

Synthetic route

70434-49-0

(Z)-3-<2-(benzyloxy)-4-(1,1-dimethylheptyl)phenyl>cyclohexanol

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal In ethanol under 760 Torr; for 2h;	77%
With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal

930-68-7

cyclohexenone

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: CuI / tetrahydrofuran / 0.5 h / -3 °C 2: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 3: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme
Multi-step reaction with 3 steps 1: (i) Mg, (ii) CuI, (iii) /BRN= 1280477/ 2: sodium tetrahydroborate 3: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme
Multi-step reaction with 3 steps 1: (i) Mg, (ii) CuI, (iii) /BRN= 1280477/ 2: sodium tetrahydroborate 3: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme

70120-16-0

1-bromo-2-benzyloxy-4-(1,1-dimethylheptyl)benzene

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: Mg / tetrahydrofuran / 20 h / Heating 2: CuI / tetrahydrofuran / 0.5 h / -3 °C 3: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 4: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme
Multi-step reaction with 3 steps 1: (i) Mg, (ii) CuI, (iii) /BRN= 1280477/ 2: sodium tetrahydroborate 3: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme
Multi-step reaction with 3 steps 1: (i) Mg, (ii) CuI, (iii) /BRN= 1280477/ 2: sodium tetrahydroborate 3: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme

70434-13-8

3-<2-(benzyloxy)-4-(1,1-dimethylheptyl)phenyl>cyclohexanone

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 2: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme
Multi-step reaction with 2 steps 1: sodium tetrahydroborate 2: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme
Multi-step reaction with 2 steps 1: sodium tetrahydroborate 2: hydrogen; sodium hydrogencarbonate / palladium on activated charcoal View Scheme

70120-12-6

2-(3-hydroxyphenyl)-2-methyloctane

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 100 percent / Br2 / CCl4 / 0.25 h / 30 °C 2: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 3: Mg / tetrahydrofuran / 20 h / Heating 4: CuI / tetrahydrofuran / 0.5 h / -3 °C 5: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 6: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

70120-14-8

2-(4-bromo-3-hydroxyphenyl)-2-methyloctane

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 2: Mg / tetrahydrofuran / 20 h / Heating 3: CuI / tetrahydrofuran / 0.5 h / -3 °C 4: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 5: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

70120-09-1

2-(3-benzyloxyphenyl)-2-methylpropionaldehyde

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions

Yield

Multi-step reaction with 8 steps 1: 57 percent / DMSO, NaOH / 4 h / 15 °C 2: 78 percent / H2 / 10percent Pd/C / ethanol / 13 h / 2585.7 Torr 3: 100 percent / Br2 / CCl4 / 0.25 h / 30 °C 4: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 5: Mg / tetrahydrofuran / 20 h / Heating 6: CuI / tetrahydrofuran / 0.5 h / -3 °C 7: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 8: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

70120-08-0

2-<3-(benzyloxy)phenyl>-2-methylpropionitrile

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions

Yield

Multi-step reaction with 9 steps 1: 1.) diisobutylaluminium hydride (DIBAL), 2.) aq. H2SO4 / 1.) THF, hexane, 25 deg C, 2 h, 2.) THF, hexane, 25 deg C, 2 h 2: 57 percent / DMSO, NaOH / 4 h / 15 °C 3: 78 percent / H2 / 10percent Pd/C / ethanol / 13 h / 2585.7 Torr 4: 100 percent / Br2 / CCl4 / 0.25 h / 30 °C 5: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 6: Mg / tetrahydrofuran / 20 h / Heating 7: CuI / tetrahydrofuran / 0.5 h / -3 °C 8: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 9: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

70120-10-4

1-(benzyloxy)-3-(1,1-dimethyl-2-heptenyl)benzene

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions

Yield

Multi-step reaction with 7 steps 1: 78 percent / H2 / 10percent Pd/C / ethanol / 13 h / 2585.7 Torr 2: 100 percent / Br2 / CCl4 / 0.25 h / 30 °C 3: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 4: Mg / tetrahydrofuran / 20 h / Heating 5: CuI / tetrahydrofuran / 0.5 h / -3 °C 6: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 7: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

21406-61-1

pentyltriphenylphosphonium bromide

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions

Yield

Multi-step reaction with 8 steps 1: 57 percent / DMSO, NaOH / 4 h / 15 °C 2: 78 percent / H2 / 10percent Pd/C / ethanol / 13 h / 2585.7 Torr 3: 100 percent / Br2 / CCl4 / 0.25 h / 30 °C 4: 1.) KH / 1.) DMF, -18 deg C, 15 min, 2.) 25 deg C, 30 min 5: Mg / tetrahydrofuran / 20 h / Heating 6: CuI / tetrahydrofuran / 0.5 h / -3 °C 7: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 8: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

C22H29BrMgO

70434-82-1

(Z)-3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: CuI / tetrahydrofuran / 0.5 h / -3 °C 2: 51 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / -40 °C 3: 77 percent / H2, NaHCO3 / 10percent Pd/C / ethanol / 2 h / 760 Torr View Scheme

rel-5-(1,1-Dimethylheptyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol Chemical Properties

rel-5-(1,1-Dimethylheptyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol Specification