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69956-77-0

Basic Information
CAS No.: 69956-77-0
Name: Pelubiprofen
Molecular Structure:
Molecular Structure of 69956-77-0 (Pelubiprofen)
Formula: C16H18 O3
Molecular Weight: 258.317
Synonyms: Benzeneaceticacid, a-methyl-4-[(2-oxocyclohexylidene)methyl]-,(E)-; (?à)-p-[[(E)-2-Oxocyclohexylidene]methyl]hdratropicacid; CS 670; Pelubiprofen; RS 2131
Density: 1.199g/cm3
Boiling Point: 457.4°C at 760 mmHg
Flash Point: 244.5°C
PSA: 54.37000
LogP: 3.40120
Synthetic route
670-80-4

4-cyclohexen-1-ylmorpholine

43153-04-4

ethyl 2-(4-formylphenyl)propionate

69956-77-0

2-[4-(2-oxo-1-cyclohexyliden methyl)-phenyl]propionic acid

Conditions
ConditionsYield
With hydrogenchloride; potassium carbonate Yield given. Multistep reaction;
2627-86-3

(S)-1-phenyl-ethylamine

69956-77-0

2-[4-(2-oxo-1-cyclohexyliden methyl)-phenyl]propionic acid

A

133883-81-5, 133883-82-6

(-)-N-<(1S)-1-Phenylethyl>-(2S)-<4-(2-oxocyclohexylidenemethyl)phenyl>propionamide

B

133883-81-5, 133883-82-6

(-)-N-<(1S)-1-Phenylmethyl>-(2R)-<4-(2-oxocyclohexylidenemethyl)phenyl>propionamide

Conditions
ConditionsYield
With 2,2'-dipyridyldisulphide; triphenylphosphine In dichloromethane at 0℃; for 0.5h;A 0.75 g
B 0.8 g
69956-77-0

2-[4-(2-oxo-1-cyclohexyliden methyl)-phenyl]propionic acid

133908-75-5

(+)-(2S)-2-<4-(2-Oxocyclohexylidenemethyl)phenyl>propionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 0.75 g / 2,2'-dipyridyl disulfide, triphenylphosphine / CH2Cl2 / 0.5 h / 0 °C
2: 1.) N2O4, sodium acetate / 1.) CCl4, 0 deg C, 2 h, 2.) CCl4, reflux, 1 h
View Scheme
69956-77-0

2-[4-(2-oxo-1-cyclohexyliden methyl)-phenyl]propionic acid

133963-62-9

(-)-(2R)-2-<4-(2-Oxocyclohexylidenemethyl)phenyl>propionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 0.8 g / 2,2'-dipyridyl disulfide, triphenylphosphine / CH2Cl2 / 0.5 h / 0 °C
2: 1.) N2O4, sodium acetate / 1.) CCl4, 0 deg C, 2 h, 2.) CCl4, reflux, 1 h
View Scheme
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