ChemicalBook--->CAS DataBase List--->30595-79-0

30595-79-0

30595-79-0 Structure

30595-79-0 Structure
IdentificationMore
[Name]

2,6-DICHLOROPHENETHYLALCOHOL
[CAS]

30595-79-0
[Synonyms]

2-(2,6-DICHLOROPHENYL)ETHANOL
2,6-DICHLOROPHENETHYLALCOHOL
TIMTEC-BB SBB005836
2,6-DICHLOROPHENETHYLALCOHOL 96%
[Molecular Formula]

C8H8Cl2O
[MDL Number]

MFCD00800674
[Molecular Weight]

191.05
[MOL File]

30595-79-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow crystalline powder,
[Melting point ]

59-65 °C
[Boiling point ]

152 °C / 12mmHg
[density ]

1.2559 (rough estimate)
[refractive index ]

1.5670 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder, Crystals or Flakes
[pka]

14.56±0.10(Predicted)
[color ]

White to slightly yellow
[CAS DataBase Reference]

30595-79-0(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[HS Code ]

29062990
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow crystalline powder,
[Synthesis]

2,6-Dichlorophenylacetic acid

6575-24-2

2,6-DICHLOROPHENETHYLALCOHOL

30595-79-0

(vii) Synthesis of 2,6-dichlorophenylethanol: A suspension of lithium aluminum hydride (13.75 g, 365.75 mmol) was slowly added to a solution of anhydrous ether (500 mL) containing 2,6-dichlorophenylacetic acid (50 g, 243.75 mmol) through a powder charging funnel under nitrogen protection. The reaction mixture was heated to reflux and maintained for 16 hours. Upon completion of the reaction, the reaction was quenched by slow dropwise addition of a saturated aqueous solution of sodium sulfate (25 mL). The resulting slurry was stirred at room temperature for 3 hours, followed by filtration through a Brinell funnel and washing the solid residue with ether (2 x 100 mL). The ether layer filtrates were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent to give 38.6 g (85% yield) of 2,6-dichlorophenethyl alcohol as a colorless oil.

[References]

[1] Journal of Medicinal Chemistry, 2007, vol. 50, # 12, p. 2818 - 2841
[2] Patent: EP1087934, 2004, B1. Location in patent: Page 28
[3] Journal of Medicinal Chemistry, 1970, vol. 13, # 6, p. 1051 - 1057
[4] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 23, p. 5211 - 5217
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-DICHLOROPHENETHYLALCOHOL(30595-79-0)MS
2,6-DICHLOROPHENETHYLALCOHOL(30595-79-0)1HNMR
2,6-DICHLOROPHENETHYLALCOHOL(30595-79-0)13CNMR
2,6-DICHLOROPHENETHYLALCOHOL(30595-79-0)IR1
2,6-DICHLOROPHENETHYLALCOHOL(30595-79-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,6-Dichlorophenethylalcohol, 96%(30595-79-0)
[TCI AMERICA]

2-(2,6-Dichlorophenyl)ethanol,>96.0%(GC)(30595-79-0)
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