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4-Methoxy-3,3'-dimethylbenzophenone

  • Name 4-Methoxy-3,3'-dimethylbenzophenone
  • EINECS255-300-6
  • CAS No. 41295-28-7
  • Density1.072 g/cm3
  • PSA26.30000
  • LogP3.54300
  • Solubility2mg/L(20 oC)
  • Melting Point62.25°C
  • FormulaC16H16O2
  • Boiling Point391 °C at 760 mmHg
  • Molecular Weight240.302
  • Flash Point174.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 41295-28-7 (METHOXYPHENONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data7

4-Methoxy-3,3'-dimethylbenzophenone Synthetic route

578-58-5

2-methylmethoxybenzene

1711-06-4

3-Methylbenzoyl chloride

41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

Conditions
ConditionsYield
With aluminium trichloride In chloroform at 20℃; for 1h; Friedel-Crafts aroylation;95%
578-58-5

2-methylmethoxybenzene

99-04-7

m-Toluic acid

41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

Conditions
ConditionsYield
In PPA60%
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

299913-74-9

[3-(bromomethyl)phenyl][3-(bromomethyl)-4-methoxyphenyl]ketone

Conditions
ConditionsYield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 4h; Heating;70%
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

C20H16N2O4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / NBS; benzoyl peroxide / CCl4 / 4 h / Heating
2: 60 percent / K2CO3; TBA*HSO4 / acetonitrile / Heating
View Scheme
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

C21H18N2O4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / NBS; benzoyl peroxide / CCl4 / 4 h / Heating
2: 65 percent / K2CO3; TBA*HSO4 / acetonitrile / Heating
View Scheme
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

C23H18N2O3

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / NBS; benzoyl peroxide / CCl4 / 4 h / Heating
2: 40 percent / K2CO3; TBA*HSO4 / acetonitrile / Heating
View Scheme
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

C24H18N2O4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / NBS; benzoyl peroxide / CCl4 / 4 h / Heating
2: 42 percent / K2CO3; TBA*HSO4 / acetonitrile / Heating
View Scheme
41295-28-7

3,3'-dimethyl-4-methoxy-benzophenone

C23H16N4O7

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / NBS; benzoyl peroxide / CCl4 / 4 h / Heating
2: 28 percent / K2CO3; TBA*HSO4 / acetonitrile / Heating
View Scheme

4-Methoxy-3,3'-dimethylbenzophenone Specification

The Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)-, with the CAS registry number 41295-28-7, is also known as 3,3'-Dimethyl-4-methoxybenzophenone. Its EINECS number is 255-300-6. This chemical's molecular formula is C16H16O2 and molecular weight is 240.3. What's more, its systematic name is (4-methoxy-3-methylphenyl)(3-methylphenyl)methanone. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide.

Physical properties of Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 842.17; (6)ACD/BCF (pH 7.4): 842.17; (7)ACD/KOC (pH 5.5): 4321.19; (8)ACD/KOC (pH 7.4): 4321.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 72.37 cm3; (15)Molar Volume: 224.1 cm3; (16)Polarizability: 28.69×10-24 cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 174.4 °C; (20)Enthalpy of Vaporization: 64.06 kJ/mol; (21)Boiling Point: 391 °C at 760 mmHg; (22)Vapour Pressure: 2.54E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-benzoyl chloride and 1-methoxy-2-methyl-benzene at the temperature of °C. This reaction will need reagent AlCl3 and solvent CHCl3 with the reaction time of 1 hour. The yield is about 95%.

Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)- can be prepared by 3-methyl-benzoyl chloride and 1-methoxy-2-methyl-benzene

Uses of Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)-: it can be used to produce (3-bromomethyl-4-methoxy-phenyl)-(3-bromomethyl-phenyl)-methanone by heating. It will need reagents NBS, benzoyl peroxide and solvent CCl4 with the reaction time of 4 hours. The yield is about 70%.

Methanone,(4-methoxy-3-methylphenyl)(3-methylphenyl)- can be used to produce (3-bromomethyl-4-methoxy-phenyl)-(3-bromomethyl-phenyl)-methanone

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(c1ccc(OC)c(c1)C)c2cccc(c2)C
(2)InChI: InChI=1/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3
(3)InChIKey: BWPYBAJTDILQPY-UHFFFAOYAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 11, 1976.
rat LD50 oral > 4gm/kg (4000mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 11, 1976.
rat LD50 skin > 4gm/kg (4000mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 11, 1976.

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