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3,4-Dimethylbenzophenone

3,4-Dimethylbenzophenone structure

CAS No:
2571-39-3
Formula:
C15H14O
Chemical Name:
3,4-Dimethylbenzophenone
Synonyms:
Methanone,(3,4-dimethylphenyl)phenyl-;Benzophenone,3,4-dimethyl-;(3,4-Dimethylphenyl)phenylmethanone;3,4-Dimethylbenzophenone;NSC 10172
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,4-Dimethylbenzophenone Basic Attributes

Molecular Weight：

210.276

Exact Mass：

210.27

EC Number：

219-916-9

NSC Number：

10172

DSSTox ID：

DTXSID90180401

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

4.5

Density：

1.1±0.1 g/cm3

Melting Point：

47.5 °C

Boiling Point：

341 °C

Flash Point：

153.7±17.0 °C

Refractive Index：

1.570

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39-S24/25-S22

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Dimethylbenzophenone Use and Manufacturing

General procedure: A mixture of aryl silane (0.5 mmol), aryl iodines (0.5 mmol), PdClGeneral procedure: A mixture of aryl silane (0.5 mmol), aryl bromides (0.5 mmol), PdClGeneral procedure: An oven-dried Schlenk tube was charged with a magnetic stir-bar, 1, 2-diarylalkynes 1 (0.5mmol), aniline (0.6mmol), KGeneral procedure: To a predried 5 mL round-bottom flask diarylmethane 1 (0.4 mmol), dry DMSO (1 mL), andt-BuONa (0.8 mmol) were subsequently added as soon as possible. The reaction system wassealed by a rubber septum with a needle connected to an O2 balloon, and then stirred at 50 oC for5 h. During this period, the reaction system suffered complex color changes. Then the reactionmixture was allowed to cool at room temperature, and diluted with 1 mol/L HCl to pH = 6-7, washed with ethyl acetate (20 mL × 3), dried over anhydrous Na2SO4, and filtered to get clearorganic solution. The solvent was removed reduced pressure by a rotary evaporator, and theresulting residue was subjected to column chromatography on silica gel using co-solvent (ethylacetate / petroleum ether = 1/20, v/v) as eluent to give the corresponding diarylketones.

Computed Properties

Molecular Weight:210.27
XLogP3:4.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:210.104465066
Monoisotopic Mass:210.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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