3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide | CAS No. 4630-95-9

3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide

Basic Information

CAS Number

4630-95-9

Molecular Formula

C22H28BrN

Molecular Weight

386.4 g/mol

AD

Basic Physical Properties

Melting Point

216-218°

Boiling Point

(Free base, bp0.15 183-185°)

CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]

InChI

InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1

InChIKey

UCGJZJXOPSNTGZ-UHFFFAOYSA-M

LogP

2.10010

Complexity

386

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in male mice (mg/kg): 11 i.v.; 43 i.p.; 30 s.c.; 330 orally (Kumada)

Synonyms & References

English

  • Bromure de prifinium
  • Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide
  • Q2109656
  • DTXSID3023508
  • PRIFINIUM BROMIDE [WHO-DD]
  • Bromure de prifinium [INN-French]
  • CHEBI:32052
  • PRIFINIUM BROMIDE [INN]
  • DTXCID503508
  • C22H28BrN
  • Bromuro de prifinio
  • NCGC00183859-01
  • D01377
  • Tox21_113295
  • 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium;bromide
  • 5-FLUORO-5-DEOXYURIDINE
  • 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
  • PRIFINIUM BROMIDE [JAN]
  • UNII-3B7O9ZC520
  • NS00082916
  • 3B7O9ZC520
  • EINECS 225-051-8
  • CAS-4630-95-9
  • 3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine ethyl bromide
  • Prifinium bromide (JAN/INN)
  • Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, bromide
  • DS-7785
  • prifinium bromide
  • FT-0657079
  • SCHEMBL24783
  • AKOS015896351

MDL Number

MFCD00865211

FAQ

What are the physical and chemical properties of 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide (CAS: 4630-95-9)?

3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide is a crystalline solid with a molecular weight of approximately 518.5 g/mol. It has a high solubility in organic solvents and moderate solubility in water. Chemically, it is relatively stable but can react with strong acids or bases. Specific physical properties include a melting point of around 85-87°C.

How is 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide (CAS: 4630-95-9) typically synthesized?

3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide is synthesized through the bromination of 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium chloride using hydrogen bromide. The reaction is typically carried out in an inert solvent such as toluene, at room temperature. Commonly, a stoichiometric amount of hydrogen bromide is used, and the yield is around 85-90%.

What industries use 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide (CAS: 4630-95-9)?

3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for the preparation of high-performance polymers. Additionally, it is used in the development of sensors and as a precursor in semiconductor processing.

What precautions should be taken when handling 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide (CAS: 4630-95-9)?

When handling 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work must be performed in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.

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