2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole

Basic Information

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CAS Number

672937-61-0

Molecular Formula

C18H26NP

Molecular Weight

287.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

51°C

Boiling Point

386.3°C at 760 mmHg

Flash Point

187.4°C

SMILES

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CC(C)(C)P(C1=CC=CN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C18H26NP/c1-17(2,3)20(18(4,5)6)16-13-10-14-19(16)15-11-8-7-9-12-15/h7-14H,1-6H3

InChIKey

DVVDGSKDQGMLPW-UHFFFAOYSA-N

LogP

5.181500000000005

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

292

Safety Information

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Sensitiveness

air sensitive

Synonyms & References

English

DVVDGSKDQGMLPW-UHFFFAOYSA-N
SCHEMBL289208
A9031
1-Phenyl-2-(di-tert.-butyl-phosphino)-1H-pyrrole
AKOS016009927
2-(Di-tert-butyl-phosphino)-1-phenyl-1H-pyrrole, 95%
N-Phenyl-2-(di-t-butylphosphino)pyrrole
DTXSID20464862
2-(Di-tert-butyl-phosphino)-1-phenyl-1H-pyrrole
672937-61-0
ditert-butyl-(1-phenylpyrrol-2-yl)phosphane
N-Phenyl-2-(di-t-butylphosphino)pyrrole,95%
FT-0734854
E84548
2-(di-tert-butylphosphino)-1-phenyl-1H-pyrrole
BP-12283
AS-67589
MFCD05861612
2-(di-tert-butylphosphanyl)-1-phenyl-1H-pyrrole
2-(di-tert-Butylphosphino)-1-phenyl-1H-pyrrole
2-[bis(1,1-dimethylethyl)phosphino]-1-phenyl-1H-Pyrrole
N-Phenylpyrrol-2-yldi-tert-butylphosphine
phosphine ligands
N-Phenyl-2-(di-tert-butylphosphino)pyrrole
cataCXium® PtB

MDL Number

MFCD05861612

FAQ

What are the physical and chemical properties of 2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0)?

2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0) is a colorless or white crystalline solid with a molecular weight of approximately 333.39 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. This compound exhibits good reactivity towards nucleophiles and can form adducts. It is stable under normal conditions but should be stored away from moisture and heat.

How is 2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0) typically synthesized?

2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0) is typically synthesized via a multistep process involving the reaction of phenyllithium with bis(2-methyl-2-propanyl)phosphine followed by amination. Commonly, this involves using a Grignard reagent or organolithium compound, with high selectivity and good yield. The reaction is carried out in anhydrous, polar aprotic solvents like THF under inert atmosphere.

What industries use 2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0)?

2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0) finds applications in pharmaceuticals for the synthesis of certain drugs, as a ligand in homogeneous catalysis for polymer synthesis, and as a sensing material for gas detection. It is also used in the preparation of organophosphorus compounds and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0)?

When handling 2-[Bis(2-methyl-2-propanyl)phosphino]-1-phenyl-1H-pyrrole (CAS: 672937-61-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. This compound should be stored in a dry, well-ventilated area and handled in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.