(11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine | CAS No. 913617-04-6

(11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine

Basic Information

CAS Number

913617-04-6

Molecular Formula

C46H36NO2P3

Molecular Weight

727.72 g/mol

AD

Basic Physical Properties

Melting Point

245-249 °C

CN(C)P1OC2=C(C3=CC=CC=C3C=C2P(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(O1)C(=CC7=CC=CC=C76)P(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H36NO2P3/c1-47(2)52-48-45-41(50(35-21-7-3-8-22-35)36-23-9-4-10-24-36)31-33-19-15-17-29-39(33)43(45)44-40-30-18-16-20-34(40)32-42(46(44)49-52)51(37-25-11-5-12-26-37)38-27-13-6-14-28-38/h3-32H,1-2H3

InChIKey

JVTXDRKUFXCFCF-UHFFFAOYSA-N

LogP

10.310399999999996

Topological Polar Surface Area

29.520000000000003 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

997

Synonyms & References

English

  • (11BR)-2,6-BIS(DIPHENYLPHOSPHINO)-N,N-DIMETHYLDINAPHTHO(2,1-D:1',2'-F)-1,3,2-DIOXAPHOSPHEPIN-4-AMINE, KANATA PURITY
  • (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1 inverted exclamation marka,2 inverted exclamation marka-f]-1,3,2-dioxaphosphepin-4-amine
  • (11bR)-2,6-Bis(diphenylphosphino)-N,N-diMethyldinaphtho[2,1-d:1′,2′-f]-1,3,2-dioxaphosphepin-4-aMine
  • (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine (ACI)
  • (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
  • (11Br)-2,6-bis(diphenylphosphino)-N,N-dimethyldinaphtho(2,1-d:1,2-f)-1,3,2-dioxaphosphepin-4-amine,kanata purity
  • CS-0092667
  • (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine
  • E74529
  • 10,16-BIS(DIPHENYLPHOSPHANYL)-N,N-DIMETHYL-12,14-DIOXA-13-PHOSPHAPENTACYCLO[13.8.0.0(2),(1)(1).0(3),?.0(1)?,(2)(3)]TRICOSA-1(15),2(11),3,5,7,9,16,18,20,22-DECAEN-13-AMINE
  • 10,16-Bis(diphenylphosphanyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
  • 913617-04-6

MDL Number

MFCD09750461

FAQ

What are the physical and chemical properties of (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine (CAS: 913617-04-6)?

This compound is a diphosphine ligand with a molecular weight of approximately 798.4 g/mol. It exhibits good solubility in organic solvents like THF and poor solubility in water. It is highly reactive towards metal ions, particularly palladium, and is often used in catalytic cross-coupling reactions. Its crystalline form is stable under normal laboratory conditions.

How is (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine (CAS: 913617-04-6) typically synthesized?

This ligand is typically synthesized via the condensation of 2,6-diphenylphosphono-dimethylamine with diphosphonic acid. The reaction is usually carried out under an inert atmosphere using a catalyst such as triphenylphosphine. The yield is generally around 70-80%, and the product is purified by recrystallization from organic solvents.

What industries use (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine (CAS: 913617-04-6)?

This compound is primarily used in the pharmaceutical industry for preparing palladium catalysts in cross-coupling reactions. It is also utilized in the polymer industry for controlled polymerization processes and in semiconductor manufacturing for the development of metal-organic precursors.

What precautions should be taken when handling (11bR)-2,6-Bis(diphenylphosphino)-N,N-dimethyldinaphtho[2,1-d:1',2'-f]-1,3,2-dioxaphosphepin-4-amine (CAS: 913617-04-6)?

When handling this compound, ensure the use of proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to minimize exposure. Spills should be carefully managed using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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