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| CAS No.: | 885-77-8 |
|---|---|
| Name: | 4,4'-DIMETHYLBENZHYDROL |
| Article Data: | 113 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H16O |
| Molecular Weight: | 212.291 |
| Synonyms: | Benzhydrol,4,4'-dimethyl- (6CI,7CI,8CI);4,4'-Dimethylbenzhydrol;4-Methyl-a-(4-methylphenyl)benzenemethanol;Bis(4-methylphenyl)carbinol;Bis(4-methylphenyl)methanol;Di-p-tolylcarbinol;Di-p-tolylmethanol;NSC 129834;XA 100; |
| Density: | 1.063g/cm3 |
| Melting Point: | 71-73°C |
| Boiling Point: | 352.7 °C at 760 mmHg |
| Flash Point: | 149.2 °C |
| Solubility: | Insoluble in water. |
| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 3.38510 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- 886364-44-91-(5-Bromo-3-pyridinyl)-2,2,2-trifluoroethanone
| Conditions | Yield |
|---|---|
| With hydrogen In tetrahydrofuran at 60℃; under 760.051 Torr; for 45h; | 98% |
| With sodium tetrahydroborate In isopropyl alcohol for 19h; Ambient temperature; | 97% |
| With sodium tetrahydroborate In methanol; acetonitrile at 20℃; for 2h; | 97% |
| Conditions | Yield |
|---|---|
| With Rh2(trifluoroacetate)4(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)2; potassium tert-butylate In methanol at 65℃; for 3h; Inert atmosphere; | 98% |
| With sodium 2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐[1,1'‐biphenyl]‐3‐sulfonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; sodium hydroxide In water at 80℃; for 2h; Inert atmosphere; | 96.6% |
| With bis(1,5-cyclooctadiene)diiridium(I) dichloride; tris(2,4-di-tert-butylphenyl)phosphite; potassium carbonate In 1,4-dioxane at 60℃; Glovebox; Inert atmosphere; | 91% |
- 201230-82-2
carbon monoxide
- 108-88-3
toluene
A
- 611-97-2
bis(p-methylphenyl)-methanone
B
- 885-77-8
4,4'-dimethylbenzhydrol
C
- 104-87-0
4-methyl-benzaldehyde
D
- 529-20-4
2-methylphenyl aldehyde
| Conditions | Yield |
|---|---|
| With hydrogen fluoride; boron trifluoride at 45℃; under 37503.8 - 60006 Torr; for 1h; Further byproducts.; | A n/a B n/a C 91% D 5% |
- 80731-92-6
(η2-4,4'-dimethylbenzophenone)zirconocene dimer
A
- 1291-32-3
zirconocene dichloride
B
- 885-77-8
4,4'-dimethylbenzhydrol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; silica gel In diethyl ether under Ar, suspn. of educt in ether stirred with 10% HCl and small amts.of silica gel for 2 h; washed with Na2CO3 soln., dried over Na2SO4, evapd., chromd. (silica, hexane/ether); | A 32% B 87% |
| Conditions | Yield |
|---|---|
| Stage #1: para-bromotoluene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran; hexane at -78 - 20℃; for 4.16667h; Inert atmosphere; | 85.2% |
| Stage #1: para-bromotoluene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran; Hexachlorobutadiene at -78℃; for 1h; | 85.2% |
| Stage #1: para-bromotoluene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere; | 85.2% |
| Conditions | Yield |
|---|---|
| With C42H62ClO3PPd; sodium phosphate In toluene at 50℃; for 30h; | 84% |
| Stage #1: tri(4-tolyl)boroxine; 4-methyl-benzaldehyde With [2,2]bipyridinyl; sodium acetate; copper(l) chloride In o-xylene at 135℃; for 6h; Stage #2: With hydrogenchloride In o-xylene; water | 83% |
- 19226-36-9
3-phenyl-5H-1,4,2-dioxazol-5-one
A
- 885-77-8
4,4'-dimethylbenzhydrol
| Conditions | Yield |
|---|---|
| Stage #1: C19H23NOS; 3-phenyl-5H-1,4,2-dioxazol-5-one With carbonyl(pentamethylcyclopentadienyl)cobalt diiodide; silver(I) triflimide In 1,2-dichloro-ethane at 120℃; for 16h; Inert atmosphere; Sealed tube; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h; Inert atmosphere; Sealed tube; | A n/a B 84% |
- 611-97-2
bis(p-methylphenyl)-methanone
A
- 885-77-8
4,4'-dimethylbenzhydrol
B
- 913-86-0
tetra(4-methylphenyl)-1,2-ethanediol
| Conditions | Yield |
|---|---|
| With CdS(x)Se(1-x) x:0-1;; cesium acetate; para-thiocresol In toluene for 15h; Sealed tube; Inert atmosphere; Irradiation; | A 83% B 17% |
| With aluminium; sodium chloride In ammonia at 25℃; for 4h; Irradiation; | A 71% B 24% |
| With cyclohexylamine In acetonitrile; benzene Product distribution; Irradiation; influence of solvent on the course of photoreduction reaction; further solvents; | A 10 % Spectr. B 90 % Spectr. |
| With cyclohexylamine In acetonitrile; benzene Irradiation; | A 10 % Spectr. B 90 % Spectr. |
| Conditions | Yield |
|---|---|
| With diphenyl hydrogen phosphate; [Ni(dipy)(μ-Cl)2]; diisopropylamine; sodium iodide; zinc In hexane at 95℃; for 7h; Inert atmosphere; Sealed tube; | 83% |
| Stage #1: 4-tolyl iodide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: 4-methyl-benzaldehyde In tetrahydrofuran; hexane at -78℃; for 0.5h; | 53% |
| Stage #1: 4-tolyl iodide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: 4-methyl-benzaldehyde In tetrahydrofuran; hexane at -78℃; for 0.5h; | 53% |
| Stage #1: 4-tolyl iodide With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: 4-methyl-benzaldehyde In tetrahydrofuran at -78 - 20℃; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| Stage #1: para-bromotoluene With magnesium In tetrahydrofuran for 1h; Inert atmosphere; Stage #2: 4-chlorobenzaldehyde In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 82% |
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Specification
The Benzenemethanol,4-methyl-a-(4-methylphenyl)-, with CAS registry number 885-77-8, belongs to the following product category: Benzhydrols, Benzyl & Special Alcohols. It has the systematic name of bis(4-methylphenyl)methanol. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C15H16O.
Physical properties of Benzenemethanol,4-methyl-a-(4-methylphenyl)-: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 66.75 cm3; (9)Molar Volume: 199.6 cm3; (10)Polarizability: 26.46×10-24cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.063 g/cm3; (13)Flash Point: 149.2 °C; (14)Enthalpy of Vaporization: 63.05 kJ/mol; (15)Boiling Point: 352.7 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 4,4'-dimethyl-benzophenone. This reaction will need reagents Zn, NaOH.
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Uses of Benzenemethanol,4-methyl-a-(4-methylphenyl)-: it can be used to produce 4,4'-dimethyl-benzophenone. This reaction will need reagent pyridinium chlorochromate and solvent CH2Cl2. The reaction time is 30 min. The yield is about 86%.
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You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
(3)InChIKey: RGYZQSCFKFDECZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
(5)Std. InChIKey: RGYZQSCFKFDECZ-UHFFFAOYSA-N