Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Fenipentol
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

Fenipentol

 EINECS 209-493-9
CAS No. 583-03-9 Density 0,96 g/cm3
PSA 20.23000 LogP 2.91020
Solubility N/A Melting Point <25 °C
Formula C11H16O Boiling Point 245.2 °C at 760 mmHg
Molecular Weight 164.247 Flash Point 110.7 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 583-03-9 (Fenipentol) Hazard Symbols N/A
Synonyms

Benzylalcohol, a-butyl- (6CI,7CI,8CI);(?à)-1-Phenyl-1-pentanol;(?à)-a-Butylbenzyl alcohol;1-Pentanol, 1-phenyl-;1-Phenyl-1-hydroxy-n-pentane;1-Phenyl-1-hydroxypentane;1-Phenyl-1-pentanol;1-Phenylpentanol;Fenipentol;NSC 8478;Pancoral;Ph BC;Phenylbutylcarbinol;a-Butylbenzenemethanol;a-Butylbenzyl alcohol;

Article Data 184

Fenipentol Synthetic route

109-72-8, 29786-93-4

n-butyllithium

100-52-7

benzaldehyde

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
In tetrahydrofuran; hexane at -78 - 20℃;100%
Stage #1: n-butyllithium With mischmetall tribromide In tetrahydrofuran; hexane at -78℃; for 1h;
Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78℃; for 3h; Imamoto reaction;		98%
In hexane at -78 - 20℃; for 1.16667h;95%
1009-14-9

phenyl butyl ketone

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
With C28H35ClCoN5(1+)*Cl(1-); potassium tert-butylate; hydrogen In tetrahydrofuran at 20℃; under 22502.3 Torr; for 16h; Autoclave;99%
With (4-NHCpr)Triaz(NHPiPr2)2Mn(CO)2Br; potassium tert-butylate; hydrogen In toluene at 80℃; under 15001.5 Torr; for 4h; Inert atmosphere; Autoclave;98%
With sodium tetrahydroborate In methanol at 20℃; for 2h;96%
109-65-9

1-bromo-butane

100-52-7

benzaldehyde

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
Stage #1: 1-bromo-butane With magnesium; lithium chloride In tetrahydrofuran at 50℃; for 0.125h; Flow reactor;
Stage #2: benzaldehyde In tetrahydrofuran at 20℃; for 0.333333h; Flow reactor;		98%
Stage #1: 1-bromo-butane With magnesium; ethylene dibromide In 2-methyltetrahydrofuran at 20℃; Inert atmosphere;
Stage #2: benzaldehyde In 2-methyltetrahydrofuran at 0 - 20℃; for 1.25h; Grignard reaction; Inert atmosphere; chemoselective reaction;		86%
With magnesium 1) Et2O, 40 deg C, 1h, 2) 35 deg C, 1h; Multistep reaction;
64346-32-3

triethyl-butyl plumbane

100-52-7

benzaldehyde

A

93-54-9

1-Phenyl-1-propanol

B

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
With titanium tetrachloride In dichloromethane at -78 - -30℃;A 98%
B 1.7%
80735-94-0

1-Phenyl-3-buten-1-ol

917-54-4

methyllithium

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
With cerium(III) chloride; lithium hydride In tetrahydrofuran at -78℃; for 72h;94%
4333-56-6

cyclopropyl bromide

100-52-7

benzaldehyde

tri-n-butyllithium magnesate complex

A

583-03-9

1-Phenyl-1-pentanol

B

1007-03-0

1-phenyl-1-cyclopropylmethanol

Conditions
ConditionsYield
Stage #1: cyclopropyl bromide; tri-n-butyllithium magnesate complex In tetrahydrofuran; hexane at 0℃; for 0.5h;
Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78 - -60℃;		A n/a
B 91%
109-72-8, 29786-93-4

n-butyllithium

410097-82-4

1-[(tert-butyl-dimethyl-silanyloxy)-phenyl-methyl]-1H-imidazole

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
In tetrahydrofuran at -78℃; for 0.166667h;90%
122-56-5

tributyl borane

100-52-7

benzaldehyde

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
With tri-tert-butyl phosphine; bis(1,5-cyclooctadiene)nickel (0) In tetrahydrofuran; water at 20℃; for 20h; Product distribution; Further Variations:; Solvents; amount of water; with additive;90%
With bis(1,5-cyclooctadiene)nickel (0); tri-tert-butyl phosphine; caesium carbonate In tetrahydrofuran; hexane; toluene at 20℃; for 24h;86%
109-72-8, 29786-93-4

n-butyllithium

166820-36-6

1-(Benzyloxy)-5-(trimethylsilyl)pyrazole

A

583-03-9

1-Phenyl-1-pentanol

B

3(5)-trimethylsilylpyrazole

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; hexane at -78℃; for 0.166667h; Elimination; addition;A 88%
B 84%
936-51-6

2-phenyl-1,3-dioxolane

24406-16-4

lithium di-n-butylcuprate

583-03-9

1-Phenyl-1-pentanol

Conditions
ConditionsYield
Stage #1: 2-phenyl-1,3-dioxolane With sodium dodecyl-sulfate; toluene-4-sulfonic acid In tetrahydrofuran; water at 25℃; for 3.5h;
Stage #2: lithium di-n-butylcuprate In diethyl ether; hexane at 25℃; for 12h; Further stages.;		87%
Stage #1: 2-phenyl-1,3-dioxolane With water; sodium dodecyl-sulfate; toluene-4-sulfonic acid In tetrahydrofuran at 25℃; for 3.5h; Inert atmosphere; polydimethylsiloxane (PDMS) thimble;
Stage #2: lithium di-n-butylcuprate In hexanes; diethyl ether for 12h;
Stage #3: With water In hexanes; diethyl ether		87%

Fenipentol Consensus Reports

Reported in EPA TSCA Inventory.

Fenipentol Specification

The Fenipentol is an organic compound with the formula C11H16O. The IUPAC name of this chemical is 1-phenylpentan-1-ol. With the CAS registry number 583-03-9, it is also named as a-Butylbenzenemethanol. The product's classification codes are Cholagogues and Choleretics; Drug / Therapeutic Agent; Gastrointestinal Agents; Reproductive Effect. Besides, it should be stored in a closed cool dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about Fenipentol are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 107.59; (5)ACD/BCF (pH 7.4): 107.59; (6)ACD/KOC (pH 5.5): 990.74; (7)ACD/KOC (pH 7.4): 990.74; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 51.23 cm3; (14)Molar Volume: 170 cm3; (15)Polarizability: 20.31×10-24cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 110.7 °C; (19)Enthalpy of Vaporization: 50.96 kJ/mol; (20)Boiling Point: 245.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-pentan-1-one. This reaction will need reagent NaBH4.



Uses of Fenipentol: it can be used to produce (1-bromo-pentyl)-benzene. It will need reagent SOBr2 and solvent toluene, various solvent(s) with reaction time of 6 hours. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)CCCC
(2)InChI: InChI=1/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
(3)InChIKey: OVGORFFCBUIFIA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
(5)Std. InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 188mg/kg (188mg/kg)   Drugs in Japan Vol. 6, Pg. 657, 1982.
mouse LD50 oral 2900mg/kg (2900mg/kg)   Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 14, Pg. 261, 1965.
mouse LD50 subcutaneous 3153mg/kg (3153mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 intraperitoneal 256mg/kg (256mg/kg)   Drugs in Japan Vol. 6, Pg. 657, 1982.
rat LD50 oral 5432mg/kg (5432mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 subcutaneous 6930mg/kg (6930mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 583-03-9