CAS No.60628-96-8,Bifonazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60628-96-8
Name:	Bifonazole
Article Data:	15

Formula:	C₂₂H₁₈N₂
Molecular Weight:	310.398
Synonyms:	1-[4-Biphenylyl(phenyl)methyl]-1H-imidazole;
EINECS:	262-336-6
Density:	1.077 g/cm³
Melting Point:	142℃
Boiling Point:	491.728 °C at 760 mmHg
Flash Point:	251.188 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	17.82000
LogP:	5.18780

Synthetic route

: 162824-42-2
(R,S)-1-<α-(4-Biphenylyl)benzyl>imidazole-4,5-dicarboxylic acid

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
In diphenylether for 0.5h; Heating;	98%

: 288-32-4
1H-imidazole

: 613-42-3
4-benzylbiphenyl

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
Stage #1: 4-benzylbiphenyl With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 0.833333h; Inert atmosphere; Reflux; Stage #2: 1H-imidazole With potassium carbonate In acetonitrile for 1h; Reflux;	77%
Stage #1: 4-benzylbiphenyl With pyridine; tert.-butylhydroperoxide; iodine In decane; water at 80℃; for 12h; Schlenk technique; Inert atmosphere; Stage #2: 1H-imidazole With formic acid; toluene-4-sulfonic acid In water at 180 - 200℃; for 10h; Schlenk technique; Inert atmosphere;	66%

: 288-32-4
1H-imidazole

: C26H21N2O2S(1-)*Na(1+)

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
With copper acetylacetonate; tetrabutylammomium bromide In toluene at 85℃; for 36h;	52%

: 7598-80-3
4-phenylbenzhydrol

: 530-62-1
1,1'-carbonyldiimidazole

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one Heating;	12%

: phenylmagnesium bromide

: 1-[(4-methoxy-phenyl)-phenyl-methyl]-1H-imidazole

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
With bis(dicyclohexylphenylphosphine)nickel(II) chloride In diethyl ether at 80℃; for 15h;

: 7598-80-3
4-phenylbenzhydrol

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 96 percent / DEAD, Ph3P / tetrahydrofuran / 24 h / Ambient temperature 2: 85 percent / NaOH / ethanol / 24 h / Heating 3: 98 percent / diphenyl ether / 0.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / 0 °C / Inert atmosphere 2.2: 0 - 100 °C / Inert atmosphere View Scheme

: 162824-36-4
1-<α-(4-Biphenylyl)benzyl>imidazole-4,5-dicarbonitrile

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / NaOH / ethanol / 24 h / Heating 2: 98 percent / diphenyl ether / 0.5 h / Heating View Scheme

: 7515-73-3
4-(chlorophenylmethyl)-1,1'-biphenyl

: 18156-74-6
1-(Trimethylsilyl)imidazole

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
In acetonitrile

: 288-32-4
1H-imidazole

: 7598-80-3
4-phenylbenzhydrol

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
Stage #1: 1H-imidazole; 4-phenylbenzhydrol With ammonium bromide In water at 125 - 130℃; for 2h; Industrial scale; Stage #2: With ammonium bromide In water at 190 - 195℃; for 2h; Temperature; Industrial scale;

: 768-32-1
trimethylphenylsilane

: 60628-96-8
bifonazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: silver(I) 4-methylbenzenesulfonate; dichloro(N-(diphenylphosphino)-N-isopropyl-1,1-diphenylphosphinamine) digold(I); [bis(acetoxy)iodo]benzene / 1,1,1-trichloroethane / 2 h / 110 °C / Inert atmosphere; Schlenk technique 2.1: aluminum oxide; sodium tetrahydroborate / ethanol / 0.67 h / 20 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere 4.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / 0 °C / Inert atmosphere 4.2: 0 - 100 °C / Inert atmosphere View Scheme

Yield

Multi-step reaction with 4 steps
1.1: silver(I) 4-methylbenzenesulfonate; dichloro(N-(diphenylphosphino)-N-isopropyl-1,1-diphenylphosphinamine) digold(I); [bis(acetoxy)iodo]benzene / 1,1,1-trichloroethane / 2 h / 110 °C / Inert atmosphere; Schlenk technique
2.1: aluminum oxide; sodium tetrahydroborate / ethanol / 0.67 h / 20 °C / Inert atmosphere
3.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere
4.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / 0 °C / Inert atmosphere
4.2: 0 - 100 °C / Inert atmosphere
View Scheme

Raw Materials

7598-80-3

7515-73-3

18156-74-6

530-62-1

Total:151 Page 1 of 4 1 2 3 4 Next>>

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Specification

The Bifonazole, with the CAS registry number 60628-96-8, is also known as 1-[4-Biphenylyl(phenyl)methyl]-1H-imidazole. It belongs to the classification codes of Anti-Infective Agents; Antifungal; Antifungal Agents; Drug / Therapeutic Agent; Reproductive Effect. Its EINECS registry number is 262-336-6. This chemical's molecular formula is C₂₂H₁₈N₂ and molecular weight is 310.39. What's more, its IUPAC name is called 1-[Phenyl-(4-phenylphenyl)methyl]imidazole. It should be stored in a cool, dry and well-ventilated place. Bifonazole is topical imidazole antifungal drug for the treatment of a variety of dermatophytoses, such as tinea corporis, tinea cruris, hand, foot and ringworm.

Physical properties about Bifonazole are: (1)ACD/LogP: 4.689; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 182.76; (6)ACD/BCF (pH 7.4): 1890.91; (7)ACD/KOC (pH 5.5): 717.78; (8)ACD/KOC (pH 7.4): 7426.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 100.752 cm³; (15)Molar Volume: 288.133 cm³; (16)Polarizability: 39.941×10^-24cm³; (17)Surface Tension: 43.15 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 251.188 °C; (20)Enthalpy of Vaporization: 72.969 kJ/mol; (21)Boiling Point: 491.728 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Bifonazole: this chemical can be prepared by imidazole with thionyl chloride. This reaction needs reagent acetonitrile at ambient temperature. The reaction time is 15 hours.

Bifonazole can be prepared by imidazole with thionyl chloride.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
(2) InChI: InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
(3) InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 500mg/kg (500mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 739, 1983.
mouse	LD50	intravenous	57mg/kg (57mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 23, 1984.
mouse	LD50	oral	2629mg/kg (2629mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 739, 1983.
mouse	LD50	subcutaneous	> 15gm/kg (15000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 23, 1984.
rabbit	LD50	oral	4gm/kg (4000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 739, 1983.
rat	LD50	intravenous	63mg/kg (63mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 23, 1984.
rat	LD50	oral	1463mg/kg (1463mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 23, 1984.
rat	LD50	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Oyo Yakuri. Pharmacometrics. Vol. 28, Pg. 23, 1984.

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