(3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin | CAS No. 1422371-27-4

(3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin

Basic Information

CAS Number

1422371-27-4

Molecular Formula

C61H81O4P

Molecular Weight

909.27 g/mol

AD

Basic Physical Properties

Physical State

off-white

Boiling Point

764.8±60.0 °C(Predicted)

CC(c1cc(cc(c1)C1(OP(OC([C@@H]2[C@@H]1OC(O2)(C)C)(c1cc(cc(c1)C(C)C)C(C)C)c1cc(cc(c1)C(C)C)C(C)C)c1ccccc1)c1cc(cc(c1)C(C)C)C(C)C)C(C)C)C

InChI

InChI=1S/C61H81O4P/c1-36(2)44-24-45(37(3)4)29-52(28-44)60(53-30-46(38(5)6)25-47(31-53)39(7)8)57-58(63-59(17,18)62-57)61(65-66(64-60)56-22-20-19-21-23-56,54-32-48(40(9)10)26-49(33-54)41(11)12)55-34-50(42(13)14)27-51(35-55)43(15)16/h19-43,57-58H,1-18H3/t57-,58-/m0/s1

InChIKey

AYBKPJJNIOLFCE-YQOHNZFASA-N

LogP

17.065499999999968

Topological Polar Surface Area

36.92 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin
  • (3AS,8AS)-(+)-4,4,8,8-TETRAKIS(3,5-DI-I-PROPYLPHENYL)TETRAHYDRO-2,2-DIMETHYL-6-PHENYL-1,3-DIOXOLO[4
  • (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin
  • 1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin, 4,4,8,8-tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-, (3aS,8aS)-

MDL Number

MFCD23704800

FAQ

What are the physical and chemical properties of (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine (CAS: 1422371-27-4)?

The compound (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine has a crystalline form with a molecular weight of approximately 1000 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetone. It is a highly reactive compound, showing stability in neutral and slightly acidic conditions but is sensitive to strong bases and oxidative environments.

How is (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine (CAS: 1422371-27-4) typically synthesized?

The compound (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine is typically synthesized through a multistep process involving the reaction of aryl halides with organophosphorus reagents. The synthesis involves the use of palladium catalysts and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine (CAS: 1422371-27-4)?

The compound (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also explored for its applications in the semiconductor industry due to its unique electronic properties.

What precautions should be taken when handling (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine (CAS: 1422371-27-4)?

When handling (3aS,8aS)-4,4,8,8-Tetrakis[3,5-bis(1-methylethyl)phenyl]tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated environment or a fume hood. In the case of a spill, do not touch the spill directly; use appropriate spill cleanup materials and follow safety guidelines. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.

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