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6196-95-8

Basic Information
CAS No.: 6196-95-8
Name: 1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE
Article Data: 35
Molecular Structure:
Molecular Structure of 6196-95-8 (1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE)
Formula: C16H18
Molecular Weight: 210.319
Synonyms: Ethane,1-phenyl-1-(3,4-xylyl)- (7CI,8CI);1-(3,4-Dimethylphenyl)-1-phenylethane;1,2-Dimethyl-4-(1-phenylethyl)benzene;1-PHENYL-1-(3,4-DIMETHYLPHENYL)ETHANE;Ethane, 1-phenyl-1-(3,4-xylyl)-;1-PHENYL-1-(3,4-XYLYL)ETHANE;4-(1-phenylethyl)-o-xylene;
EINECS: 228-249-2
Density: 0.961 g/cm3
Melting Point: -56 °C
Boiling Point: 306.4 °C at 760 mmHg
Flash Point: 143 °C
PSA: 0.00000
LogP: 4.45520
Synthetic route
95-47-6

o-xylene

93-96-9

bis(1-phenylethyl)ether

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With iron(III) chloride; chloro-trimethyl-silane In 1,2-dichloro-ethane at 20℃; for 0.166667h; Friedel-Crafts Alkylation; Inert atmosphere;100%
100-42-5

styrene

95-47-6

o-xylene

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With cross-linked poly acidic ionic liquids In N,N-dimethyl-formamide at 120℃; for 3h; Solvent; Temperature; High pressure;99.67%
With phosphotungstic acid at 120℃; for 3h; Reagent/catalyst;98.3%
With 12-tungstophosphoric acid supported 30percent triethylammonium acetate, P123 in micro/mesoporous silica at 119.84℃; for 3h; Catalytic behavior; Reagent/catalyst; Temperature; Friedel-Crafts Alkylation;93.8%
100-42-5

styrene

95-47-6

o-xylene

A

81749-28-2

1,2-dimethyl-2-(1-phenylethyl)benzene

B

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With immobilized 30percent 12-tungstophosphoric acid-imidazole(1H)-3-ium-3-triethoxysilylpropyl-1-(propyl-3-sulfonate) on mesoporous silica SBA-15 at 120℃; for 3h; Reagent/catalyst;A n/a
B 93.9%
With iron(III) chloride at 80℃; for 4h;
With SiO2-supported InCl2 at 80℃; for 3h;
With gold(III) chloride; silver hexafluoroantimonate In 1,2-dichloro-ethane at 50℃; for 5h; Inert atmosphere; Darkness; regioselective reaction;
With aminosilane-modified lanthanum-substituted mesoporous silica-supported phosphotungstic acid at 120℃; for 3h; regioselective reaction;
95-47-6

o-xylene

92976-56-2

tert-butyldimethyl(1-phenylethoxy)silane

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 2.5h; Friedel-Crafts Alkylation; Inert atmosphere; regioselective reaction;93%
95-47-6

o-xylene

14856-75-8

1-phenyl-1-trimethylsilyloxyethane

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 1h; Reagent/catalyst; Time; Friedel-Crafts Alkylation; Inert atmosphere; regioselective reaction;92%
95-47-6

o-xylene

112473-30-0, 18442-52-9

triethyl(1-phenylethoxy)silane

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 1.5h; Friedel-Crafts Alkylation; Inert atmosphere; regioselective reaction;91%
95-47-6

o-xylene

98-85-1, 13323-81-4

1-Phenylethanol

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
[Ir2(COD)2(SnCl3)2(Cl)2)(μ-Cl)2] In 1,2-dichloro-ethane at 80℃; for 12h;89%
With 2,3,4,5-tetrafluorophenyl(dihydroxy)borane In nitromethane at 20℃; for 1h; Friedel-Crafts Alkylation;88%
With triphenylphosphine ditriflate In dichloromethane at 20℃; for 1h; Friedel-Crafts benzylation;79%
95-47-6

o-xylene

7214-61-1

(1-nitroethyl)benzene

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With tin(IV) chloride for 1h; Ambient temperature;65%
95-47-6

o-xylene

93-96-9

bis(1-phenylethyl)ether

A

98-85-1, 13323-81-4

1-Phenylethanol

B

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With iron(III) chloride; Hexamethyldisiloxane In 1,2-dichloro-ethane at 20℃; for 0.5h; Friedel-Crafts Alkylation; Inert atmosphere;A 14%
B 22%
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Friedel-Crafts Alkylation; Inert atmosphere;A 11%
B 9%
100-42-5

styrene

95-47-6

o-xylene

A

56525-86-1

1,3-diphenyl-1-(o-xylyl)butane

B

6196-95-8

1,2-dimethyl-4-(1-phenylethyl)benzene

Conditions
ConditionsYield
With toluene-4-sulfonic acid; hydroquinone at 110℃; for 11.5h; Yield given. Yields of byproduct given;
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  • Benzene,1,2-dimethyl-4-(1-phenylethyl)- manufacture

  • Casno:

    6196-95-8

    Benzene,1,2-dimethyl-4-(1-phenylethyl)- manufacture

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid or powder Storage:keep sealed and keep from direct light Package:According client's requirements Applic

    Jinan Aery Pharmaceutical Co,.Ltd(Former:Jinan An-dm Chemical Co,.Ltd) is a high-tech enterprise professionally producing pharmaceutical raw materials,intermediates and fine chemic

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  • 6196-95-8

  • Casno:

    6196-95-8

    6196-95-8

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Supply top quality products with a reasonable price Application:api

    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

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Specification

The Benzene,1,2-dimethyl-4-(1-phenylethyl)-, with the CAS registry number 6196-95-8, is also known as 1-(3,4-Dimethylphenyl)-1-phenylethane. Its EINECS number is 228-249-2. This chemical's molecular formula is C16H18 and molecular weight is 210.31. What's more, its systematic name is 1,2-dimethyl-4-(1-phenylethyl)benzene.

Physical properties of Benzene,1,2-dimethyl-4-(1-phenylethyl)- are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.47; (4)ACD/LogD (pH 7.4): 5.47; (5)ACD/BCF (pH 5.5): 8524.72; (6)ACD/BCF (pH 7.4): 8524.72; (7)ACD/KOC (pH 5.5): 22655.35; (8)#H bond acceptors: 0; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 0 Å2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 69.85 cm3; (14)Molar Volume: 218.6 cm3; (15)Polarizability: 27.69×10-24cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 0.961 g/cm3; (18)Flash Point: 143 °C; (19)Enthalpy of Vaporization: 52.51 kJ/mol; (20)Boiling Point: 306.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0014 mmHg at 25°C.

Preparation: this chemical can be prepared by (1-nitro-ethyl)-benzene and 1,2-dimethyl-benzene at the ambient temperature. This reaction will need reagent SnCl4 with the reaction time of 1 hour. The yield is about 65%.

Benzene,1,2-dimethyl-4-(1-phenylethyl)- can be prepared by (1-nitro-ethyl)-benzene and 1,2-dimethyl-benzene at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc(c1C)C)C(c2ccccc2)C
(2)Std. InChI: InChI=1S/C16H18/c1-12-9-10-16(11-13(12)2)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
(3)Std. InChIKey: FLWSNJAEMMOZJG-UHFFFAOYSA-N