Conditions | Yield |
---|---|
With zinc(II) tetrahydroborate In acetonitrile for 16h; Mechanism; Ambient temperature; | 100% |
With zinc(II) tetrahydroborate In acetonitrile for 16h; Ambient temperature; | 100% |
With samarium; 1,2-Diiodoethane In 1,2-dimethoxyethane for 24h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
In diethyl ether at 0 - 20℃; Inert atmosphere; | 100% |
With (5-(1,3-dimethylhexahydropyrimidin-2-yl)furan-2-yl)methanol In tetrahydrofuran at 0 - 20℃; for 12h; | 70% |
Inert atmosphere; | 60% |
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With water | 100% |
2-(diphenylmethyloxy)tetrahydro-2H-pyran
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.05h; Heating; | 99% |
silica-supported prop-1-ylsulfonic acid In methanol | 99.9% |
With methanol; zirconium(IV) chloride at 20℃; for 4h; | 98% |
Conditions | Yield |
---|---|
at 290℃; for 3h; | A 99% B 60% C 75% |
Conditions | Yield |
---|---|
With dimethyl zinc(II); sodium hydride In tetrahydrofuran; hexane for 12h; Ambient temperature; | A 99% B 1% |
Conditions | Yield |
---|---|
With cesium fluoride; bis(η3-allyl-μ-chloropalladium(II)) In 1,4-dioxane at 80℃; for 0.333333h; | 99% |
With potassium tert-butylate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; dirhodium(II) tetrakis(perfluorobutyrate) In tert-Amyl alcohol at 60℃; for 1h; | 99% |
With chlorobis(cyclooctene)rhodium(I) dimer; α-Oxo-phenylmethan-diphenylphosphin; sodium carbonate In water; toluene at 60℃; Reagent/catalyst; Temperature; Solvent; Schlenk technique; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With LiCrH4*2LiCl*2THF In tetrahydrofuran at 25℃; for 12h; | A 98% B 2% |
With triethylamine; cadmium(II) sulphide In methanol for 6h; Irradiation; | A 88% B 11% |
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran at 20℃; for 0.25h; | A 88% B 4% |
Conditions | Yield |
---|---|
With butyl magnesium bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 6h; | 98% |
diphenylmethyl trimethylsilyl ether
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With copper(II) nitrate In acetonitrile at 20℃; for 15h; deprotection; | 98% |
With bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 0.0333333h; | 98% |
montmorillonite K-10 for 0.0833333h; Solid phase reaction; desilylation; microwave irradiation; | 97% |
Conditions | Yield |
---|---|
With [{2-(2-pyridyl)benzimidazole}RuCl2(PPh3)2]; potassium hydroxide at 82℃; for 4h; | 98% |
Conditions | Yield |
---|---|
With iodine; magnesium In tetrahydrofuran 1.) reflux; 2.) 20 deg C then 22 deg C; | 97% |
Stage #1: bromobenzene 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; | 94% |
Stage #1: bromobenzene With magnesium; ethylene dibromide In 2-methyltetrahydrofuran at 20℃; Inert atmosphere; Stage #2: benzaldehyde In 2-methyltetrahydrofuran at 0 - 20℃; for 2.25h; Grignard reaction; Inert atmosphere; chemoselective reaction; | 89% |
benzophenone
formamide
A
1,1-Diphenylmethanol
B
benzhydryl ether
C
N-benzhydrylformamide
Conditions | Yield |
---|---|
With magnesium chloride at 180 - 195℃; for 4h; | A 24.7 mg B n/a C 97% |
at 180 - 195℃; for 4h; Mechanism; Product distribution; | A 13.0 mg B 71.0 mg C 53% |
at 180 - 195℃; for 4h; | A 13.0 mg B 71.0 mg C 53% |
With hydroquinone at 185℃; for 4h; Mechanism; Product distribution; Rate constant; also reaction with triethylammonium formate; |
Conditions | Yield |
---|---|
bis(acetylacetonate)nickel(II) In tetrahydrofuran at 20℃; for 0.3h; | 96% |
With tetra-n-butylphosphonium chloride In toluene at 0 - 23℃; Inert atmosphere; chemoselective reaction; | 58% |
With 15-crown-5; sodium iodide In toluene at 23℃; for 24h; Inert atmosphere; Schlenk technique; | 60 %Spectr. |
Conditions | Yield |
---|---|
With [RuCl2(triphenylphosphine)((6-((3,5-dimethyl-pyrazol-1-yl)pyridin-2-yl)methylene)-p-tolyl-amine)]*0.5Et2O; potassium isopropoxide at 82℃; under 750.075 Torr; for 3.16667h; Inert atmosphere; | A 96% B n/a |
With C58H49N5P2Ru In chloroform for 2.5h; Inert atmosphere; Reflux; enantioselective reaction; | A 89% B n/a |
With RuCl(PSiP(Cy)); potassium tert-butylate at 80℃; for 8h; |
allyl diphenylmethylcarbonate
2-propanethiol
A
1,1-Diphenylmethanol
B
allylisopropyl sulfide
C
carbon dioxide
Conditions | Yield |
---|---|
With Roussin's red salt ester; tetrabutylammomium bromide; potassium hydride In tetrahydrofuran; ethanol at 40℃; | A 96% B n/a C n/a |
Conditions | Yield |
---|---|
With tributyl(2-methoxyethyl)phosphonium bis(CF3SO2)imide In tetrahydrofuran at 0℃; for 0.0833333h; Product distribution; Further Variations:; Reagents; Solvents; reaction times; Grignard reaction; | 95% |
Stage #1: phenylmagnesium bromide In tetrahydrofuran Stage #2: benzaldehyde for 2h; Further stages.; | 70% |
With trihexyl(tetradecyl)phosphonium chloride | 67% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 0℃; for 0.2h; | 95% |
In tetrahydrofuran at 0℃; for 0.166667h; Yield given; |
A
norborn-2-ene
B
benzophenone
C
1,1-Diphenylmethanol
D
1,1-diphenylmethylenenorbornane
Conditions | Yield |
---|---|
at 290℃; for 3h; | A 27% B 95% C 15% D 64% |
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In acetonitrile at 120℃; for 0.5h; microwave irradiation; | 95% |
With sodium hydroxide; cyclo-octa-1,5-diene; [Rh(OH)(cod)]2 In 1,4-dioxane at 90℃; for 16h; | 55 % Chromat. |
Conditions | Yield |
---|---|
With tri-1-napthylphosphine; palladium dichloride In 1,4-dioxane at 40℃; for 30h; Reagent/catalyst; Solvent; | 94.8% |
Conditions | Yield |
---|---|
With water at 20℃; for 0.333333h; | 94% |
With tris(2,4,6-trimethoxyphenyl)phosphine In methanol at 50℃; for 8.5h; | 88% |
((methoxymethoxy)methylene)dibenzene
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 2.5h; Heating; | 94% |
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.0833333h; Microwave irradiation; chemoselective reaction; | 83% |
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With sodium hydroxide In water Inert atmosphere; | 94% |
diphenylmethyl palmitate
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; dichloromethane at 20℃; for 0.333333h; Solvent; | 94% |
3-diphenylacetoxy-4-methylthiazole-2(3H)-thione
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With antimony triphenylsulphide In diethyl ether for 12h; Ambient temperature; | 93% |
With oxygen; thiophenol; antimony tris-benzenethiolate In diethyl ether for 12h; Ambient temperature; | 93% |
With 2,3,3,4,4,5-hexamethyl-2-hexanethiol; oxygen; triphenylphosphine 1.) toluene, irradiation, room temperature; Yield given. Multistep reaction; |
trans-Dihydro-3-phenyl-5-(phenylmethyl)-6-heptyl-1,2,4,5-trioxazine
A
1,1-Diphenylmethanol
B
N-Benzyl-N-(1-phenyloctyl)hydroxylamine
Conditions | Yield |
---|---|
In diethyl ether for 20h; Ambient temperature; | A 93% B 68% |
In diethyl ether for 20h; Product distribution; Ambient temperature; other nucleophiles; | A 93% B 68% |
(ethoxymethoxy)methylene dibenzene
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 2h; Heating; | 93% |
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.1h; Microwave irradiation; chemoselective reaction; | 90% |
1,1-Diphenylmethanol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With hydrogenchloride In water for 5h; Temperature; Time; Reflux; chemoselective reaction; | 100% |
With sulfuric acid for 16h; Kinetics; Reflux; | 97% |
With sulfuric acid for 2h; Reflux; | 97% |
Conditions | Yield |
---|---|
With o-benzenedisulfonimide In neat (no solvent) at 20℃; for 1.5h; Friedel-Crafts Alkylation; | 100% |
With 2C2H6O2*ZnCl2 at 90℃; for 1h; Temperature; Reagent/catalyst; Friedel-Crafts Alkylation; | 85% |
With hydrogenchloride; ethanol |
Conditions | Yield |
---|---|
With acetone; zirconic acid In benzene at 80℃; for 8h; | 100% |
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.5h; Ambient temperature; | 100% |
With tert.-butylhydroperoxide; polystyrene-bound phenylselenic acid In tetrachloromethane for 24h; Heating; | 100% |
Conditions | Yield |
---|---|
With triisopropylborane; trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) -30 deg C, 30 min 2.) room temp., 6 h; | 100% |
With iodine; hypophosphorous acid In acetic acid at 60℃; for 24h; | 100% |
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 1h; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
methyltrioxorhenium(VII) In benzene for 48h; Ambient temperature; | 100% |
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h; | 100% |
sodium tetrachloroaurate dihydrate In dichloromethane at 20℃; for 16h; | 100% |
Conditions | Yield |
---|---|
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution; | 100% |
With hydrogenchloride; tetrabutylammomium bromide In water at 40 - 45℃; | 100% |
With hydrogenchloride; tetrabutylammomium bromide In water; toluene at 40 - 45℃; | 97% |
Conditions | Yield |
---|---|
With bifunctional polymer In toluene at 20℃; for 3h; | 100% |
With tin(IV) tetraphenylporphyrin perchlorate at 20℃; for 1h; | 99% |
With m-nitrobenzene boronic acid at 20℃; for 12h; | 99% |
Conditions | Yield |
---|---|
With trifluoroacetic acid for 0.5h; Ambient temperature; | 100% |
With trifluoroacetic acid at 20℃; for 3h; | 99% |
99% |
Conditions | Yield |
---|---|
With phenol; aluminium dodecatungsten phosphate In dichloromethane at 20℃; for 2.5h; | 100% |
With indium(III) triflate In nitromethane at 80℃; for 0.5h; Sealed tube; chemoselective reaction; | 99% |
With aluminium(III) triflate at 70℃; | 98% |
Conditions | Yield |
---|---|
methyltrioxorhenium(VII) for 48h; Ambient temperature; | 100% |
With boron trifluoride diethyl etherate In toluene at 100℃; for 7h; Concentration; Solvent; Time; | 98% |
With trimethylsilyl bromide at 50℃; for 24h; Sealed tube; | 98% |
1,1-Diphenylmethanol
2-mercaptoethylamine hydrochloride
N-<2-(diphenylmethylthio)ethyl>amine hydrochloride
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; acetic acid at 90 - 95℃; for 0.333333h; | 100% |
With boron trifluoride diethyl etherate; acetic acid at 90 - 95℃; for 0.333333h; | 100% |
With boron trifluoride In diethyl ether; acetic acid at 90℃; for 0.25h; | 80% |
With trifluoroacetic acid | |
With boron trifluoride In sodium hydroxide; diethyl ether; ethanol; acetic acid |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene Reflux; Inert atmosphere; | 100% |
With toluene-4-sulfonic acid In toluene for 3h; Dean-Stark; Reflux; Inert atmosphere; | 98% |
With sulfuric acid In toluene at 20 - 60℃; for 3.5h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With boron trifluoride In dichloromethane at 0 - 5℃; other organosilicon compd., var. arylcarbinols and ketones; | 100% |
With boron trifluoride In dichloromethane at 0 - 5℃; | 100% |
With indium(III) chloride In 1,2-dichloro-ethane at 80℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With benzyl alcohol; aluminium dodecatungsten phosphate In dichloromethane at 20℃; for 4h; | 100% |
With methanesulfonic acid at 80℃; for 0.0833333h; Microwave irradiation; Ionic liquid; | 99% |
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 0.0166667h; | 99% |
With toluene-4-sulfonic acid In acetonitrile for 12h; Reflux; | 97% |
With toluene-4-sulfonic acid In benzene |
1,1-Diphenylmethanol
(E)-trimethyl(3-phenylallyl)silane
3,4,4-triphenyl-1-butene
Conditions | Yield |
---|---|
With indium(III) chloride In 1,2-dichloro-ethane at 80℃; for 3h; | 100% |
With indium(III) chloride; trimethylsilyl bromide In hexane for 2h; Heating; | 74% |
1,1-Diphenylmethanol
diphenylmethyl 3-oxobutanoate
Conditions | Yield |
---|---|
100% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 2h; | 100% |
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; | 100% |
With caesium carbonate In toluene at -40℃; Inert atmosphere; |
1,1-Diphenylmethanol
methyl 6-hydroxy-1-naphthoate
Conditions | Yield |
---|---|
With stannic bromide In dichloromethane at 20℃; for 24h; Catalytic behavior; Friedel-Crafts Alkylation; Inert atmosphere; | 100% |
IUPAC Name: Diphenylmethanol
Synonyms of of Benzhydrol (CAS NO.91-01-0): A-Phenylbenzenemethanol ; A-Phenylbenzyl Alcohol ; Benzenemethanol, .alpha.-phenyl- ; Benzenemethanol, alpha-phenyl-
Molecular Structure:
Molecular Formula: C13H12O
Molecular Weight: 184.24
CAS NO: 91-01-0
EINECS: 202-033-8
Mol File: 91-01-0.mol
Merck: 14,1090
BRN : 1424379
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.599
Molar Refractivity: 57.1 cm3
Molar Volume: 167 cm3
Surface Tension: 45.3 dyne/cm
Density: 1.102 g/cm3
Flash Point: 140.8 °C
Enthalpy of Vaporization: 56.91 kJ/mol
Boiling Point: 299 °C at 760 mmHg
Vapour Pressure: 0.000548 mmHg at 25°C
Melting Point: 65-67 °C(lit.)
Appearance: off-white powder
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, acids.
SMILES: OC(c1ccccc1)c2ccccc2
InChI: InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey: QILSFLSDHQAZET-UHFFFAOYAG
Std. InChI: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Std. InChIKey: QILSFLSDHQAZET-UHFFFAOYSA-N
Product Categories of Benzhydrol (CAS NO.91-01-0): Pharmaceutical Intermediates;Intermediates;Benzhydrols, Benzyl & Special Alcohols;API intermediates
Benzhydrol (CAS NO.91-01-0) is mainly used in organic synthesis, as benztropine in pharmaceutical industry and intermediates of diphenhydramine.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | subcutaneous | 2gm/kg (2000mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 24, Pg. 405, 1925. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979. | |
rat | LD50 | oral | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: DC7452000
Hazard Note: Irritant
HS Code: 29062900
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.
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