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CAS No.: | 886-38-4 |
---|---|
Name: | DIPHENYLCYCLOPROPENONE |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C15H10O |
Molecular Weight: | 206.244 |
Synonyms: | Cyclopropenone,diphenyl- (6CI,7CI,8CI);1,2-Diphenylcyclopropenone;2,3-Diphenyl-2-cyclopropen-1-one;2,3-Diphenylcyclopropenone;Diphencyclopropenone;Diphencyprone;Diphenylcyclopropenone;NSC 57541; |
EINECS: | 212-948-4 |
Density: | 1.232 g/cm3 |
Melting Point: | 118-122 °C(lit.) |
Boiling Point: | 407.2 °C at 760 mmHg |
Flash Point: | 182.7 °C |
Solubility: | insoluble in water |
Appearance: | slightly pinkish-orange to beige crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 38-43 |
Safety: | 36/37 |
PSA: | 17.07000 |
LogP: | 3.18010 |
diethylamine
A
diethylammonium trifluoromethanesulfonate
Conditions | Yield |
---|---|
In chloroform | A n/a B 27% C 99% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 0.333333h; Inert atmosphere; | A 95% B n/a |
3,3-dichloro-1,2-diphenylcyclopropene
geraniol
A
geranyl chloride
B
diphenylcyclopropenone
Conditions | Yield |
---|---|
In dichloromethane at 23℃; for 0.0833333h; Inert atmosphere; | A 95% B n/a |
3,3-dichloro-1,2-diphenylcyclopropene
(S)-Methyl mandelate
A
methyl 2-chloro-2-phenylethanoate
B
diphenylcyclopropenone
Conditions | Yield |
---|---|
In dichloromethane at 23℃; for 1.08333h; Inert atmosphere; | A 93% B n/a |
2-octyn-1-ol
3,3-dichloro-1,2-diphenylcyclopropene
A
1-chloro-2-octyne
B
diphenylcyclopropenone
Conditions | Yield |
---|---|
In dichloromethane at 23℃; for 0.0833333h; Inert atmosphere; | A 92% B n/a |
3-Phenylpropenol
3,3-dichloro-1,2-diphenylcyclopropene
A
diphenylcyclopropenone
B
cinnamyl chloride
Conditions | Yield |
---|---|
In dichloromethane at 23℃; for 0.05h; Inert atmosphere; | A n/a B 92% |
In dichloromethane at 23℃; for 0.05h; |
1-Phenylethanol
3,3-dichloro-1,2-diphenylcyclopropene
A
(1-chloroethyl)benzene
B
diphenylcyclopropenone
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 0.5h; Inert atmosphere; | A 91% B n/a |
Conditions | Yield |
---|---|
In dichloromethane at 23℃; for 0.166667h; Inert atmosphere; enantioselective reaction; | A 90% B n/a |
Conditions | Yield |
---|---|
With hydrogenchloride In chloroform; water for 1h; Ambient temperature; | 89% |
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This chemical is called 2-Cyclopropen-1-one, 2,3-diphenyl-, and its IUPAC name is 2,3-diphenylcycloprop-2-en-1-one. With the CAS registry number of 886-38-4, its product categories are C15 to C38; Carbonyl Compounds; Ketones. This chemical is slightly pinkish-orange to beige crystalline. However, it should be stored in a tightly closed container, away from light.
Other characteristics of the 2-Cyclopropen-1-one, 2,3-diphenyl- can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 442.04; (6)ACD/BCF (pH 7.4): 442.04; (7)ACD/KOC (pH 5.5): 2724.13; (8)ACD/KOC (pH 7.4): 2724.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 62.44 cm3; (15)Molar Volume: 167.3 cm3; (16)Polarizability: 24.75×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.232 g/cm3; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 65.91 kJ/mol; (21)Boiling Point: 407.2 °C at 760 mmHg; (22)Vapour Pressure: 7.66E-07 mmHg at 25°C.
Uses of this chemical: The 2-Cyclopropen-1-one, 2,3-diphenyl- could react with nitrosobenzene, and obtain the 2,3,4-triphenyl-2H-isoxazol-5-one. This reaction needs the solvent of benzene. The yield is 95 %. In addition, this reaction should be taken for 4 hours at the temperature of 80 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to skin. It may cause sensitization by skin contact. Wear suitable protective clothing and gloves when you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2C(=C2\c1ccccc1)\c3ccccc3
2.InChI: InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
3.InChIKey: HCIBTBXNLVOFER-UHFFFAOYAZ