1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole

Basic Information

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CAS Number

628333-86-8

Molecular Formula

C29H33N2P

Molecular Weight

440.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

140.0 to 144.0 deg-C

Solubility

Insuluble (6.2E-5 g/L) (25 ºC),

SMILES

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CC(C)(C)P(C1=CC=CC=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3

InChIKey

JAIIBHBCNPAPPF-UHFFFAOYSA-N

LogP

7.910500000000008

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

565

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

air sensitive

Synonyms & References

English

1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole
1-[2-[Bis(tert-butyl)phosphino]phenyl]-3,5-diphenyl-1H-pyrazole
1-[2-(Di-tert-butylphosphino)phenyl]-3,5-diphenyl-1H-pyrazole
1-[2-[BIS(TERT-BUTYL)PHOSPHINO]PHENYL]-3,5-DIPHENYL-1H-PYRAZOL
ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane
TrippyPhos
TRA0063300
SC11186
AX8244510
D3834
[2-(3,5-Diphenyl-1H-pyrazole-1-yl)phenyl]di-tert-butylphosphine
1-[2-[Bi
CS-W013846
DB-250136
SCHEMBL143758
AS-71562
SY052881
DTXSID70465647
1-[2-(DI-TERT-BUTYLPHOSPHANYL)PHENYL]-3,5-DIPHENYLPYRAZOLE
1-[2-[Bis(tert-butyl)phosphino]phenyl]-3,5-diphenyl-1H-pyrazole, 96%
T71149
628333-86-8
AKOS015838454
JAIIBHBCNPAPPF-UHFFFAOYSA-N
MFCD09038823
EN300-7423035
1-[2-(di-tert-butylphosphanyl)phenyl]-3,5-diphenyl-1H-pyrazole

MDL Number

MFCD09038823

FAQ

What are the physical and chemical properties of 1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole (CAS: 628333-86-8)?

1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole is a solid with a crystalline form. Its molecular weight is approximately 662.48 g/mol. The compound is slightly soluble in common organic solvents. It is relatively stable under normal conditions but can react with strong oxidizing agents. The compound has been observed to have good thermal stability up to 300°C.

How is 1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole (CAS: 628333-86-8) typically synthesized?

1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole is typically synthesized via a multistep process involving the coupling of 2-(di-tert-butylphosphino)phenylboronic acid and 3,5-diphenylpyrazole. The synthesis often utilizes palladium catalysts and is carried out in the presence of a base such as potassium carbonate. The overall yield is generally around 60-80%, with excellent selectivity towards the target product.

What industries use 1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole (CAS: 628333-86-8)?

1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole finds applications in pharmaceuticals and as a ligand in catalysis. It is used as a chelating agent and as an organophosphorus compound in various synthetic processes. Additionally, it has potential uses in sensors and as a stabilizer in polymer formulations.

What precautions should be taken when handling 1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole (CAS: 628333-86-8)?

When handling 1-(2-(Di-tert-butylphosphino)phenyl)-3,5-diphenyl-1H-pyrazole, it is advisable to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed instructions and safety information.