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2-Cyclopropen-1-one,2,3-diphenyl-

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Name

2-Cyclopropen-1-one,2,3-diphenyl-

EINECS 212-948-4
CAS No. 886-38-4 Density 1.232 g/cm3
PSA 17.07000 LogP 3.18010
Solubility insoluble in water Melting Point 118-122 °C(lit.)
Formula C15H10O Boiling Point 407.2 °C at 760 mmHg
Molecular Weight 206.244 Flash Point 182.7 °C
Transport Information N/A Appearance slightly pinkish-orange to beige crystalline
Safety 36/37 Risk Codes 38-43
Molecular Structure Molecular Structure of 886-38-4 (DIPHENYLCYCLOPROPENONE) Hazard Symbols IrritantXi
Synonyms

Cyclopropenone,diphenyl- (6CI,7CI,8CI);1,2-Diphenylcyclopropenone;2,3-Diphenyl-2-cyclopropen-1-one;2,3-Diphenylcyclopropenone;Diphencyclopropenone;Diphencyprone;Diphenylcyclopropenone;NSC 57541;

Article Data 50

2-Cyclopropen-1-one,2,3-diphenyl- Synthetic route

bis(2,3-diphenylcyclopropenyliun) ether ditriflate

109-89-7

diethylamine

A

60933-18-8

diethylammonium trifluoromethanesulfonate

B

C19H20N(1+)*CF3O3S(1-)

C

Conditions
ConditionsYield
In chloroformA n/a
B 27%
C 99%

A

10304-81-1

1-phenyl-2-chloropropane

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In acetonitrile at 80℃; for 0.333333h; Inert atmosphere;A 95%
B n/a
2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

624-15-7

geraniol

A

4490-10-2

geranyl chloride

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In dichloromethane at 23℃; for 0.0833333h; Inert atmosphere;A 95%
B n/a
2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

21210-43-5

(S)-Methyl mandelate

A

7476-66-6

methyl 2-chloro-2-phenylethanoate

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In dichloromethane at 23℃; for 1.08333h; Inert atmosphere;A 93%
B n/a
20739-58-6

2-octyn-1-ol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

51575-83-8

1-chloro-2-octyne

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In dichloromethane at 23℃; for 0.0833333h; Inert atmosphere;A 92%
B n/a
104-54-1

3-Phenylpropenol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

886-38-4

diphenylcyclopropenone

B

2687-12-9

cinnamyl chloride

Conditions
ConditionsYield
In dichloromethane at 23℃; for 0.05h; Inert atmosphere;A n/a
B 92%
In dichloromethane at 23℃; for 0.05h;
98-85-1, 13323-81-4

1-Phenylethanol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

672-65-1

(1-chloroethyl)benzene

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In dichloromethane at 20℃; for 0.5h; Inert atmosphere;A 91%
B n/a
1445-91-6

(S)-1-phenylethanol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

B

Conditions
ConditionsYield
In dichloromethane at 23℃; for 0.166667h; Inert atmosphere; enantioselective reaction;A 90%
B n/a

Conditions
ConditionsYield
With hydrogenchloride In chloroform; water for 1h; Ambient temperature;89%
60-12-8

2-phenylethanol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

622-24-2

2-phenylethyl chloride

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In dichloromethane at 23℃; for 0.25h; Mechanism; Solvent; Inert atmosphere;A 89%
B n/a
In dichloromethane at 23℃; for 0.25h;

2-Cyclopropen-1-one,2,3-diphenyl- Specification

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

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