ChemicalBook--->CAS DataBase List--->37693-01-9

37693-01-9

37693-01-9 Structure

37693-01-9 Structure
IdentificationBack Directory
[Name]

CLOFOCTOL
[CAS]

37693-01-9
[Synonyms]

Gramplus
Octofene
CLOFOCTOL
2-[2,4-DICHLOROBENZYL]-4-[1,1,3,3-TETRAMETHYLBUTYL]PHENOL
α-[2,4-Dichlorophenyl]-4-[1,1,3,3-tetramethylbutyl]-o-cresol
2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-pheno
2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-
[EINECS(EC#)]

253-632-6
[Molecular Formula]

C21H26Cl2O
[MDL Number]

MFCD00079014
[MOL File]

37693-01-9.mol
[Molecular Weight]

365.34
Chemical PropertiesBack Directory
[Melting point ]

78°
[Boiling point ]

447.7±40.0 °C(Predicted)
[density ]

1.127±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO:100.0(Max Conc. mg/mL);273.72(Max Conc. mM)
[form ]

neat
[pka]

10.09±0.45(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

SL0533000
[Toxicity]

LD50 orally in male rats: >4 g/kg (Debat)
Hazard InformationBack Directory
[Originator]

Octofene,Debat,France,1978
[Uses]

antibacterial
[Definition]

ChEBI: 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is a diarylmethane.
[Manufacturing Process]

The following were introduced into a 1 liter flask provided with a reflux condenser: 206 g (1 mol) of p-(1,1,3,3-tetramethylbutyl)-phenol, 147 g (0.75 mol) of 2,4-dichlorobenzyl chloride, 27 g (0.2 mol) of pure melted zinc chloride, and 750 ml of anhydrous chloroform.
The mixture was heated to reflux for 24 hours. The chloroformic reaction mixture was washed with water, and then dried over anhydrous sodium sulfate. The chloroform was evaporated off and the oil obtained was fractionally distilled under a pressure of 0.2 mm Hg. The fraction distilling at 140°C to 160°C, being the desired product indicated above, was collected and crystallized. Yield: 94 g (32% of theory); MP 78°C (after recrystallization in petroleum ether).
[Therapeutic Function]

Antiinfective, Bacteriostatic
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

CLOFOCTOL(37693-01-9)1HNMR
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