(?)-Valeranone supplier | CasNO.5090-54-0

Name
VALERANONE
EINECS
CAS No. 5090-54-0
Article Data8
CAS DataBase
Density 0.94g/cm³
Solubility
Melting Point
Formula C15H26 O
Boiling Point 287.9°Cat760mmHg
Molecular Weight 222.371
Flash Point 120.4°C
Transport Information
Appearance
Safety A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1(2H)-Naphthalenone,octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aS-(4aa,7b,8aa)]-; 1(2H)-Naphthalenone, octahydro-7b-isopropyl-4aa,8aa-dimethyl-, (-)- (8CI); Jatamansone (6CI); (-)-Jatamansone;(-)-Valeranone; Jatamansone, (-)-; Valeranone, (-)-
PSA 17.07000
LogP 4.20810

Synthetic route

: 177533-01-6
(1R,6R,9R)-1,6-dimethyl-9-isopropylbicyclo[4.4.0]dec-3-en-2-one

: 5090-54-0
valeranone

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol for 12h;	80%
With hydrogen; palladium on activated charcoal In methanol under 760 Torr; for 12h;	80%

: 2212-97-7, 106707-55-5
Deoxyfauronol-aethylenketal

: 5090-54-0
valeranone

Conditions

Conditions	Yield
With hydrogenchloride

: 4893-79-2, 98573-74-1
8,8-Aethylendioxy-(2R)-isopropyl-(4aR)-hydroxymethyl-(8aR)-methyl-dekalin

: 5090-54-0
valeranone

Conditions

Conditions	Yield
(i) CrO3, Py, (ii) N2H4*H2O, KOH, (iii) aq. AcOH; Multistep reaction;

: 16735-11-8, 66510-89-2
(1aR,4aS,7R,8aS)-7-Isopropyl-1a-methoxy-4a-methyl-decahydro-cyclopropa[d]naphthalene

: 5090-54-0
valeranone

Conditions

Conditions	Yield
With hydrogenchloride

: 823203-43-6
(1S,3aR,6R,7aS)-2-Iodo-6-isopropyl-1,3a,7a-trimethyl-octahydro-indene

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C 1.2: ozone / methanol; CH2Cl2 / -78 °C 1.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 2.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 3.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 823203-42-5
(1S,3R,6R,9S)-3-isopropyl-1,6,9-trimethylbicyclo[4.3.0]nonan-8-ol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C 2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C 2.2: ozone / methanol; CH2Cl2 / -78 °C 2.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 3.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 4.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

Yield

Multi-step reaction with 4 steps
1.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C
2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C
2.2: ozone / methanol; CH2Cl2 / -78 °C
2.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C
3.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
4.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

: 177532-97-7
(1R,2R,4R)-1,2,-dimethyl-2-(1-hydroxyethyl)-4-isopropylcyclohexaneethanol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 65 percent / imidazole / CH2Cl2 / 1 h / 0 °C 2: 82 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 3: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C 4: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 5: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 6: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

Yield

Multi-step reaction with 6 steps
1: 65 percent / imidazole / CH2Cl2 / 1 h / 0 °C
2: 82 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
3: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C
4: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
5: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
6: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

: 177532-94-4
(1S,3R,6R,9S)-3-isopropenyl-1,6,9-trimethylbicyclo[4.3.0]nonan-8-one

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: 99 percent / H2 / Pd/C / methanol / 12 h 2.1: 96 percent / NaBH4 / methanol / 0.25 h / cooling 3.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C 4.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C 4.2: ozone / methanol; CH2Cl2 / -78 °C 4.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 5.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 6.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme
Multi-step reaction with 4 steps 1: 98 percent / H2 / 10percent Pd/C / methanol / 6 h 2: 1.) NaBH4, 2.) PPh3, iodine, imidazole / 1.) MeOH, 0 deg C, 15 min, 2.) C6H6, room temperature 2 h 4: 80 percent / H2 / 10percent Pd/C / methanol / 12 h View Scheme

Yield

Multi-step reaction with 6 steps
1.1: 99 percent / H2 / Pd/C / methanol / 12 h
2.1: 96 percent / NaBH4 / methanol / 0.25 h / cooling
3.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C
4.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C
4.2: ozone / methanol; CH2Cl2 / -78 °C
4.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C
5.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
6.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

Multi-step reaction with 4 steps
1: 98 percent / H2 / 10percent Pd/C / methanol / 6 h
2: 1.) NaBH4, 2.) PPh3, iodine, imidazole / 1.) MeOH, 0 deg C, 15 min, 2.) C6H6, room temperature 2 h
4: 80 percent / H2 / 10percent Pd/C / methanol / 12 h
View Scheme

: 177532-95-5
(1S,3R,6R,9S)-3-isopropyl-1,6,9-trimethylbicyclo[4.3.0]nonan-8-one

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 96 percent / NaBH4 / methanol / 0.25 h / cooling 2.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C 3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C 3.2: ozone / methanol; CH2Cl2 / -78 °C 3.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 4.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 5.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme
Multi-step reaction with 3 steps 1: 1.) NaBH4, 2.) PPh3, iodine, imidazole / 1.) MeOH, 0 deg C, 15 min, 2.) C6H6, room temperature 2 h 3: 80 percent / H2 / 10percent Pd/C / methanol / 12 h View Scheme

Yield

Multi-step reaction with 5 steps
1.1: 96 percent / NaBH4 / methanol / 0.25 h / cooling
2.1: 76 percent / iodine; triphenylphosphine; imidazole / benzene / 2 h / 20 °C
3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethylformamide / 0.5 h / 160 °C
3.2: ozone / methanol; CH2Cl2 / -78 °C
3.3: triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C
4.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
5.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

Multi-step reaction with 3 steps
1: 1.) NaBH4, 2.) PPh3, iodine, imidazole / 1.) MeOH, 0 deg C, 15 min, 2.) C6H6, room temperature 2 h
3: 80 percent / H2 / 10percent Pd/C / methanol / 12 h
View Scheme

: 177532-96-6
(1R,2S,6R,9R)-9-isopropyl-1,2,6-trimethyl-3-oxabicyclo[4.4.0]decan-4-one

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 98 percent / lithium aluminium hydride / diethyl ether / 0.5 h / 20 °C 2: 65 percent / imidazole / CH2Cl2 / 1 h / 0 °C 3: 82 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 4: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C 5: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 6: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 7: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme
Multi-step reaction with 6 steps 1.1: 87 percent / diisobutylaluminium hydride / toluene / 1 h / -78 °C 2.1: 57 percent / tetrahydrofuran / 1 h / 40 °C 3.1: 80 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 4.1: ozone / methanol; CH2Cl2 / -75 °C 4.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 5.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 6.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

Yield

Multi-step reaction with 7 steps
1: 98 percent / lithium aluminium hydride / diethyl ether / 0.5 h / 20 °C
2: 65 percent / imidazole / CH2Cl2 / 1 h / 0 °C
3: 82 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
4: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C
5: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
6: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
7: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

Multi-step reaction with 6 steps
1.1: 87 percent / diisobutylaluminium hydride / toluene / 1 h / -78 °C
2.1: 57 percent / tetrahydrofuran / 1 h / 40 °C
3.1: 80 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
4.1: ozone / methanol; CH2Cl2 / -75 °C
4.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C
5.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
6.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

: 261957-25-9
2-[(1R,2R,4R)-2-acetyl-4-isopropyl-1,2-dimethylcyclohexyl]acetaldehyde

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 2: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 261957-31-7
1-[(1R,2R,5R)-(2-allyl-5-isopropyl-1,2-dimethylcyclohexyl)]ethanone

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: ozone / methanol; CH2Cl2 / -75 °C 1.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 2.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 3.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 261957-30-6
(1S)-1-[(1R,2R,5R)-(2-allyl-5-isopropyl-1,2-dimethylcyclohexyl)]ethanol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 80 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 2.1: ozone / methanol; CH2Cl2 / -75 °C 2.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 3.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 4.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 261957-28-2
(1R,6R,9R)-9-isopropyl-1,2,6-trimethyl-3-oxabicyclo[4.4.0]decan-2-ol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 2: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 3: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 261957-29-3
(1R,2R,6R,9R)-9-isopropyl-1,2,6-trimethyl-3-oxabicyclo[4.4.0]decan-4-ol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 57 percent / tetrahydrofuran / 1 h / 40 °C 2.1: 80 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 3.1: ozone / methanol; CH2Cl2 / -75 °C 3.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C 4.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 5.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

Yield

Multi-step reaction with 5 steps
1.1: 57 percent / tetrahydrofuran / 1 h / 40 °C
2.1: 80 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C
3.1: ozone / methanol; CH2Cl2 / -75 °C
3.2: 75 percent / triphenylphosphine / methanol; CH2Cl2 / 8 h / 20 °C
4.1: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C
5.1: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr
View Scheme

: 261957-27-1
1-[(1R,2R,5R)-2-(2-tert-butyldimethylsilyloxyethyl)-5-isopropyl-1,2-dimethylcyclohexyl]-1-ethanone

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C 2: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 3: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 4: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 261957-26-0
(1S)-1-[(1R,2R,5R)-2-(tert-butyldimethylsilyloxyethyl)-5-isopropyl-1,2-dimethylcyclohexyl]ethanol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 82 percent / pyridinium chlorochromate; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 2: 70 percent / tetrabutylammonium fluoride / tetrahydrofuran / 4 h / 20 °C 3: 72 percent / PCC; sodium acetate / CH2Cl2 / 0.5 h / 20 °C 4: 76 percent / KOH / tetrahydrofuran; methanol; H2O / 8 h / 20 °C 5: 80 percent / H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: (3aR,6R,7aS)-2-Iodo-6-isopropyl-1,3a,7a-trimethyl-octahydro-indene

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 80 percent / H2 / 10percent Pd/C / methanol / 12 h View Scheme

: 16840-48-5
5ξ-Hydroxy-7β-isopropyl-4ξ-methoxy-10α-methyl-3-decalon

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: KOH 2: LiAlH4 3: I2, Zn-Cu 4: CrO3, H2SO4 5: N2H4, diethylene glycol, KOH 6: aq. HCl View Scheme

: 16735-09-4, 66510-87-0
7β-Isopropyl-4β-methoxy-10α-methyl-4α,5α-methylen-3α-decalol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: CrO3, H2SO4 2: N2H4, diethylene glycol, KOH 3: aq. HCl View Scheme

: 66510-86-9
7β-Isopropyl-4-methoxy-10α-methyl-4-octalin-3α-ol

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: I2, Zn-Cu 2: CrO3, H2SO4 3: N2H4, diethylene glycol, KOH 4: aq. HCl View Scheme

: 16735-10-7, 66510-88-1
(1aR,4aR,7R,8aS)-7-Isopropyl-1a-methoxy-4a-methyl-octahydro-cyclopropa[d]naphthalen-2-one

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N2H4, diethylene glycol, KOH 2: aq. HCl View Scheme

: 66334-13-2
7β-Isopropyl-4-methoxy-10α-methyl-4-octalin-3-on

: 5090-54-0
valeranone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: LiAlH4 2: I2, Zn-Cu 3: CrO3, H2SO4 4: N2H4, diethylene glycol, KOH 5: aq. HCl View Scheme

: 5090-54-0
valeranone

: 4893-70-3, 4893-71-4, 17408-73-0, 114127-46-7, 114127-47-8
(4aS)-7t-Isopropyl-4a,8a-dimethyl-(4ar,8ac)-decahydro-[1c]naphthol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride

: 5090-54-0
valeranone

: 2658-90-4, 18866-65-4
(4aR)-2ξ-bromo-7t-isopropyl-4a,8a-dimethyl-(4ar,8ac)-octahydro-naphthalen-1-one

Conditions

Conditions	Yield
With bromine
With bromine In acetic acid

: 186581-53-3, 908094-01-9
diazomethane

: 5090-54-0
valeranone

: Trisnorphotovaleronsaeuremethylester

Conditions

Conditions	Yield
Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 5090-54-0
valeranone

: Bisnorphotovaleronsaeuremethylester

Conditions

Conditions	Yield
Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 5090-54-0
valeranone

: Norphotovaleronsaeuremethylester

Conditions

Conditions	Yield
Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 5090-54-0
valeranone

: Photovaleronsaeuremethylester

Conditions

Conditions	Yield
(i) (UV-irradiation), (ii) /BRN= 102415/; Multistep reaction;

: 5090-54-0
valeranone

: 5050-72-6
(1R,3R,6S)-3-Isopropyl-1,6-dimethylbicyclo[4.4.0]decane

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine at 180 - 190℃;
With sodium; hydrazine hydrate
Multi-step reaction with 2 steps 1: (i) LiAlH4, (ii) phthalic anhydride 2: H2 / PtO2 View Scheme

: 5090-54-0
valeranone

A: 4893-70-3, 4893-71-4, 17408-73-0, 114127-46-7, 114127-47-8
(4aS)-7t-Isopropyl-4a,8a-dimethyl-(4ar,8ac)-decahydro-[1c]naphthol

B: 4893-70-3, 4893-71-4, 17408-73-0, 114127-46-7, 114127-47-8
4-epi-Valeranol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether Heating;

: 5090-54-0
valeranone

: 4893-70-3, 4893-71-4, 17408-73-0, 114127-46-7, 114127-47-8
4-epi-Valeranol

Conditions

Conditions	Yield
With sodium ethanolate In ethanol

: 5090-54-0
valeranone

: (4aR)-2,2-dibromo-7t-isopropyl-4a,8a-dimethyl-(4ar,8ac)-octahydro-naphthalen-1-one

Conditions

Conditions	Yield
With bromine In acetic acid

: 5090-54-0
valeranone

: 177186-97-9
Jatamansen

Conditions

Conditions	Yield
(i) LiAlH4, (ii) phthalic anhydride; Multistep reaction;

: 5090-54-0
valeranone

: Trisnorphotovaleronsaeure

Conditions

Conditions	Yield
Multistep reaction;

: 5090-54-0
valeranone

: Bisnorphotovaleronsaeure

Conditions

Conditions	Yield
Multistep reaction;

: 5090-54-0
valeranone

: Norphotovaleronsaeure

Conditions

Conditions	Yield
Multistep reaction;

: 5090-54-0
valeranone

: Photovaleronsaeure

Conditions

Conditions	Yield
In acetic acid Irradiation;

: 5090-54-0
valeranone

: 100-52-7
benzaldehyde

: 100270-35-7
(4aR)-2-((Ξ)-benzylidene)-7t-isopropyl-4a,8a-dimethyl-(4ar,8ac)-octahydro-naphthalen-1-one

Conditions

Conditions	Yield
With sodium ethanolate
(i) HCl, (ii) NaOAc; Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 5090-54-0
valeranone

: 5487-10-5, 93190-80-8
Hydroxyvaleranosaeuremethylester

Conditions

Conditions	Yield
(i) PhCO3H, (ii) (hydrolysis), (iii) /BRN= 102415/; Multistep reaction;

(?)-Valeranone Chemical Properties

IUPAC Name: (7R)-4a,8a-Dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Synonyms: 1(2H)-Naphthalenone, octahydro-7-beta-isopropyl-4a-alpha,8a-alpha-dimethyl-, (-) ; 1(2H)-Naphthalenone, octahydro-7-beta-isopropyl-4a-alpha,8a-alpha-dimethyl-, (-)-
CAS NO:5090-54-0
Molecular Formula of (−)-Valeranone (CAS NO.5090-54-0) :C₁₅H₂₆O
Molecular Weight of (−)-Valeranone (CAS NO.5090-54-0) :222.3663
Molecular Structure of (−)-Valeranone (CAS NO.5090-54-0) :
Index of Refraction: 1.481
Surface Tension: 32.6 dyne/cm
Density: 0.94 g/cm³
Flash Point: 120.4 °C
Enthalpy of Vaporization: 52.71 kJ/mol
Boiling Point: 287.9 °C at 760 mmHg
Vapour Pressure: 0.00242 mmHg at 25°C

(?)-Valeranone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	intraperitoneal	580mg/kg (580mg/kg)		"Pharmacology of Oriental Plants," Chen, K.K., and B. Mukerji, Oxford, UK, Pergamon Press Ltd., 1965Vol. -, Pg. 51, 1965.
mouse	LD50	intraperitoneal	350mg/kg (350mg/kg)		Indian Journal of Medical Research. Vol. 46, Pg. 782, 1958.

(?)-Valeranone Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.

Product Name

VALERANONE

Synthetic route

(?)-Valeranone Chemical Properties

(?)-Valeranone Toxicity Data With Reference

(?)-Valeranone Safety Profile

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