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162881-26-7

Basic Information
CAS No.: 162881-26-7
Name: Methanone,1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-
Article Data: 25
Cas Database
Molecular Structure:
Molecular Structure of 162881-26-7 (Methanone,1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-)
Formula: C26H27O3P
Molecular Weight: 418.472
Synonyms: Phosphineoxide, phenylbis(2,4,6-trimethylbenzoyl)- (9CI);Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide;Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide;
EINECS: 423-340-5
Density: 1.173 g/cm3
Melting Point: 131-135 °C
Boiling Point: 589.968 °C at 760 mmHg
Flash Point: 310.602 °C
Solubility: soluble in acetone, acetonitrile, toluene, and hexanedioldiacrylate
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 43-53
Safety: 22-24-37-61
Transport Information: N/A
PSA: 61.02000
LogP: 6.20620
Synthetic route
620596-61-4

bis (2,4,6-trimethylbenzoyl) phenylphosphine

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
With Nitrogen dioxide In toluene for 1.5h; Inert atmosphere;94.7%
With dihydrogen peroxide at 55℃; for 2h; Temperature; Reagent/catalyst;93.2%
With dihydrogen peroxide at 55℃; for 2h; Temperature;93.9%
644-97-3

Dichlorophenylphosphine

938-18-1

mesitylene-2-carboxylic acid chloride

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Stage #1: Dichlorophenylphosphine With sodium amalgam In toluene for 1h; Reflux; Inert atmosphere;
Stage #2: With tert-butyl alcohol In toluene for 1h; Inert atmosphere; Reflux;
Stage #3: mesitylene-2-carboxylic acid chloride In toluene at 40℃; for 1h; Reagent/catalyst; Inert atmosphere;
91%
Stage #1: With sodium In toluene at 20 - 98℃; Heating / reflux;
Stage #2: Dichlorophenylphosphine In toluene for 17h; Heating / reflux;
Stage #3: mesitylene-2-carboxylic acid chloride With peracetic acid; 3-methylpentan-3-ol more than 3 stages;
87%
Stage #1: With sodium In toluene at 20 - 98℃; Heating / reflux;
Stage #2: Dichlorophenylphosphine In toluene for 17h; Heating / reflux;
Stage #3: mesitylene-2-carboxylic acid chloride With peracetic acid; 3-methylpentan-3-ol Product distribution / selectivity; more than 3 stages;
86%

C26H31O3P

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
With vanadium(IV) bis(2,4-pentanedionate); dihydrogen peroxide at 20℃; for 16.5h; Reagent/catalyst;89%
With dihydrogen peroxide at 20℃; for 10h; Time;40 g

C26H27Cl4P

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
With dihydrogen peroxide In toluene78%
938-18-1

mesitylene-2-carboxylic acid chloride

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Stage #1: With sodium; pentaphenylcyclopentaphosphane In toluene at 20℃; Heating / reflux;
Stage #2: With tert-butyl alcohol In toluene at 98 - 110℃; for 17h; Heating / reflux;
Stage #3: mesitylene-2-carboxylic acid chloride With dihydrogen peroxide more than 3 stages;
824-72-6

P,P-dichlorophenylphosphine oxide

938-18-1

mesitylene-2-carboxylic acid chloride

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Stage #1: With N,N,N,N,-tetramethylethylenediamine; sodium In xylene at 105 - 110℃;
Stage #2: P,P-dichlorophenylphosphine oxide In toluene for 23.16h; Heating / reflux;
Stage #3: mesitylene-2-carboxylic acid chloride With dihydrogen peroxide more than 3 stages;

4-isopropylthioxanthone

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

A

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

B

474510-57-1

2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl)-benzyl)-phenyl)-2-methylpropan-1-one

603-35-0

triphenylphosphine

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium / tert-butyl alcohol; chlorobenzene; toluene / Reflux
1.2: 20 - 100 °C
2.1: tert-butyl alcohol; chlorobenzene; water; toluene / 0.5 h / 80 °C
3.1: dihydrogen peroxide / tert-butyl alcohol; chlorobenzene; water; toluene / 2 h / 40 - 50 °C
View Scheme
644-97-3

Dichlorophenylphosphine

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium / toluene / 16.5 h / Inert atmosphere; Reflux
1.2: Inert atmosphere; Reflux
2.1: dihydrogen peroxide / methanol; water / 2.5 h / -5 - 20 °C / Inert atmosphere
3.1: dimethyl amine / 1,2-dichloro-ethane / -5 - 60 °C / Inert atmosphere
4.1: dihydrogen peroxide; vanadium(IV) bis(2,4-pentanedionate) / 16.5 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: trimethylsilan / toluene / 0.75 h / 20 °C / Inert atmosphere
1.2: 3 h / 70 - 80 °C / Inert atmosphere
2.1: toluene / 4.5 h / 50 - 100 °C / Inert atmosphere
3.1: Nitrogen dioxide / toluene / 1.5 h / Inert atmosphere
View Scheme
638-21-1

phenylphosphane

162881-26-7

phenyl bis(2,4,6-trimethylbenzoyl)phosphine oxide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dihydrogen peroxide / methanol; water / 2.5 h / -5 - 20 °C / Inert atmosphere
2: dimethyl amine / 1,2-dichloro-ethane / -5 - 60 °C / Inert atmosphere
3: dihydrogen peroxide; vanadium(IV) bis(2,4-pentanedionate) / 16.5 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / pentane; hexane / 0.75 h / -30 °C / Inert atmosphere; Cooling with ethanol-dry ice
1.2: Cooling
2.1: triethylamine / toluene / 25 - 28 °C / Inert atmosphere
3.1: diethyl ether; tetrahydrofuran / 20 °C / Inert atmosphere
4.1: dihydrogen peroxide / 40 - 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / pentane; hexane / 0.75 h / -30 °C / Inert atmosphere; Cooling with ethanol-dry ice
1.2: Cooling
2.1: triethylamine / toluene / 25 - 28 °C / Inert atmosphere
3.1: diethyl ether; tert-butyl methyl ether / 20 °C / Inert atmosphere
4.1: dihydrogen peroxide / 40 - 50 °C
View Scheme
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  • Bis(2,4,6-trimethylbenzoyl)-phenylphosphineoxide CAS NO.162881-26-7

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    Bis(2,4,6-trimethylbenzoyl)-phenylphosphineoxide CAS NO.162881-26-7

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Specification

The Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide, with the CAS registry number 162881-26-7, is also known as Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide. It belongs to the product categories of Miscellaneous; Organic Photoinitiators; Polymerization Initiators. Its EINECS number is 423-340-5. This chemical's molecular formula is C26H27O3P and molecular weight is 418.46. What's more, its systematic name is (Phenylphosphoryl)bis(mesitylmethanone). Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, acids and light.

Physical properties of Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide are: (1)ACD/LogP: 5.344; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.34; (4)ACD/LogD (pH 7.4): 5.34; (5)ACD/BCF (pH 5.5): 6779.82; (6)ACD/BCF (pH 7.4): 6779.82; (7)ACD/KOC (pH 5.5): 19229.90; (8)ACD/KOC (pH 7.4): 19229.90; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.02 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 120.145 cm3; (15)Molar Volume: 356.703 cm3; (16)Polarizability: 47.629×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 310.602 °C; (20)Enthalpy of Vaporization: 88.034 kJ/mol; (21)Boiling Point: 589.968 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause long-term adverse effects in the aquatic environment and may cause sensitisation by skin contact. You should not breathe dust. When using it, you must avoid contact with skin and you need to wear suitable gloves. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(cc1C)C)C)P(=O)(C(=O)c2c(cc(cc2C)C)C)c3ccccc3
(2)Std. InChI: InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
(3)Std. InChIKey: GUCYFKSBFREPBC-UHFFFAOYSA-N 

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