2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile | CAS No. 2311888-44-3

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile

Basic Information

CAS Number

2311888-44-3

Molecular Formula

C30H21N3

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

N#CCC1C=CC(=CC=1)C1C=C(C=C(C=1)C1C=CC(CC#N)=CC=1)C1C=CC(CC#N)=CC=1

InChI

InChI=1S/C30H21N3/c31-16-13-22-1-7-25(8-2-22)28-19-29(26-9-3-23(4-10-26)14-17-32)21-30(20-28)27-11-5-24(6-12-27)15-18-33/h1-12,19-21H,13-15H2

InChIKey

IZBDPTLGINUZJG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

634

Synonyms & References

English

  • 2,2'-(5'-(4-(cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile
  • CID 145712123
  • ?1,3,5-tris(4-cyanomethylphenyl)benzene
  • 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile
  • 2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile
  • TCPB

FAQ

What are the physical and chemical properties of 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile (CAS: 2311888-44-3)?

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile is a solid compound with a melting point around 300°C. The molecular weight is approximately 732.38 g/mol, and it is poorly soluble in water but soluble in common organic solvents like dichloromethane and acetonitrile. It is chemically stable under normal conditions but can react with strong reducing agents.

How is 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile (CAS: 2311888-44-3) typically synthesized?

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile is typically synthesized via multistep reactions involving the use of cyanomethylating agents and phenyl derivatives. The synthesis involves protecting groups, coupling reactions, and acetonitrile formation. The yield is moderate to good, and the product can be isolated by column chromatography.

What industries use 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile (CAS: 2311888-44-3)?

2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile is primarily used in the pharmaceutical industry for developing specific chemical compounds. It also finds applications in the synthesis of organic materials, particularly in the production of polymers with specific functional groups. Additionally, it may be used in sensor technology and semiconductor manufacturing for special chemical functionalities.

What precautions should be taken when handling 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile (CAS: 2311888-44-3)?

Handling 2-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with appropriate absorbent materials, and the area should be cleaned with solvents. Detailed safety data sheets (SDS) should be consulted for comprehensive information and emergency procedures.

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