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1,1-Diphenylacetone

1,1-Diphenylacetone structure

CAS No:
781-35-1
Formula:
C15H14O
Chemical Name:
1,1-Diphenylacetone
Synonyms:
2-Propanone,1,1-diphenyl-;1,1-Diphenyl-2-propanone;1,1-Diphenylacetone;Methyl diphenylmethyl ketone;Benzhydryl methyl ketone;NSC 400472
Categories:
Agrochemicals > Insecticides

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Description

white to light yellow powder

1,1-Diphenylacetone Basic Attributes

Molecular Weight：

210.27

Exact Mass：

210.27

BRN：

1910206

EC Number：

212-307-9

NSC Number：

400472

DSSTox ID：

DTXSID8061137

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

2.99

Appearance：

white solid.

Density：

1.1±0.1 g/cm3

Melting Point：

46 °C

Boiling Point：

307 °C

Flash Point：

133.8±7.8 °C

Refractive Index：

1.563

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

UC2010020

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Combustible.

1,1-Diphenylacetone Use and Manufacturing

Methods of Manufacturing

The preparation method is that 1-phenylacetone is used as a raw material for bromination to obtain 1-phenyl-1-bromoacetone, and the product is obtained by Fourier reaction with benzene in the presence of anhydrous aluminum trichloride. Chlorine gas can also be introduced into the reaction tower with acetone. The liquid temperature is controlled at 25-40℃ to generate trichloroacetone. Then trichloroacetone is added to the reactor, and the reducing agent solution is added dropwise at 60～80℃. Heat to evaporate the solvent. After 1 to 3 hours, the temperature is raised to 110-120°C and the reaction is completed. Then add dilute hydrochloric acid to the hydrolysis kettle, and add the above reducing agent reaction solution dropwise under stirring to hydrolyze, separate the layers, and perform vacuum distillation of the lower crude product to obtain 80-85°C/8.0kPa distillate as trichloroisopropanol. Cool to obtain slightly off-white prismatic crystals, then add benzene and anhydrous aluminum trichloride to the reaction kettle, add a solution composed of trichloroisopropanol and benzene dropwise under stirring, the reaction temperature is 30-40 ℃, after the addition is complete After reacting for 1 h, the reactant is hydrolyzed in a hydrolysis kettle to hydrolyze the unreacted aluminum trichloride, the hydrolysis temperature does not exceed 70 ℃, the hydrolysis is completed, the layer is separated, the benzene is removed under normal pressure, and the product is obtained by distillation under reduced pressure.

Uses

It can be used as an intermediate for the production of the anticoagulant rodenticide dichloramine sodium salt, dichloramine and chloramphenone, and also as a pharmaceutical intermediate such as prostaglandin I2 agonist

Manufacturing Info：

2-Propanone, 1,1-diphenyl-: ACTIVE

Computed Properties

Molecular Weight:210.27
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:210.104465066
Monoisotopic Mass:210.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes