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4'-Ethylpropiophenone

4'-Ethylpropiophenone structure

CAS No:
27465-51-6
Formula:
C11H14O
Chemical Name:
4'-Ethylpropiophenone
Synonyms:
1-(4-Ethylphenyl)propanone;Theethylbenzeneacetone;1-Propanone,1-(4-ethylphenyl)-;P-ETHYLPROPIOPHENONE;1-(4-ETHYL-PHENYL)-PROPAN-1-ONE;4'-ETHYLPROPIOPHENONE;4-ETHYLPROPIOPHENONE;ETHYL 4-ETHYLPHENYL KETONE
Categories:
Pharmaceutical Intermediates > Genitourinary Agents

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Description

Clear colorless liquid

4'-Ethylpropiophenone Basic Attributes

Molecular Weight：

162.23

Exact Mass：

162.104462

EC Number：

2017-001-1

DSSTox ID：

DTXSID40342678

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

Density：

1.0±0.1 g/cm3

Boiling Point：

246 °C

Flash Point：

103.2±16.5 °C

Refractive Index：

1.504

Vapor Pressure：

0.0368mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

safety instructions：

24/25

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4'-Ethylpropiophenone Use and Manufacturing

Methods of Manufacturing

General procedure: A Schlenk tube (20 mL) charged with amide (0.5 mmol), PEPPSI (0.025 mmol, 5 molpercent), and K2CO3(2 equiv) was degassed and then refilled with nitrogen, three times. Then, solvent MTBE (6.0 mL)was added via syringe followed by 0.75 mL (1.5 equiv) borane solution (1 M in THF), which wascommercially available or was in situ prepared by hydroboration of olefin. The resulted mixture stirred for 24 h at room temperature under N2 atmosphere. The reaction was quenched with iced water(5 mL) and extracted with MTBE (2 x 5 mL). The combined MTBE extracts were dried over anhydrousNa2SO4. After filtration, solvents were removed by rotavapor to afford the crude product, which waspurified by flash column chromatography on silica gel using petroleum ether/EtOAc as the eluents.

Uses

An impurity of Eperisone (E565800) as muscle relaxant and analgesic.

Computed Properties

Molecular Weight:162.23
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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