2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride | CAS No. 2765-97-1

2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride

Basic Information

CAS Number

2765-97-1

Molecular Formula

C21H24ClNO3

Molecular Weight

373.9 g/mol

AD

Basic Physical Properties

CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C.Cl

InChI

InChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H

InChIKey

RSBGQTFIHFGTSY-UHFFFAOYSA-N

LogP

3.48680

Complexity

435

Synonyms & References

English

  • DTXCID2026442
  • Tox21_112187
  • 2765-97-1
  • PARGEVERINE HCL
  • CHEMBL2359025
  • Q27293990
  • Tox21_112187_1
  • 2-(dimethylamino)ethyl 2, 2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
  • NCGC00164558-01
  • NCGC00164558-02
  • PARGEVERINE HYDROCHLORIDE [MART.]
  • Pargeverine hydrochloride
  • NS00049100
  • PARGEVERINE HYDROCHLORIDE [WHO-DD]
  • BENZENEACETIC ACID, .ALPHA.-PHENYL-.ALPHA.-(2-PROPYN-1-YLOXY)-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE (1:1)
  • propinox hydrochloride
  • 2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium chloride
  • DTXSID4046442
  • 2-(dimethylamino)ethyl 2,2-diphenyl-2-(prop-2-ynyloxy)acetate hydrochloride
  • 2-(DIMETHYLAMINO)ETHYLDIPHENYL(2-PROPYNYLOXY)ACETATE HYDROCHLORIDE
  • XT63P694CJ
  • PARGEVERIN HYDROCHLORIDE
  • CAS-2765-97-1
  • PROPINOX HCL
  • Benzeneaceticacid, a-phenyl-a-(2-propynyloxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (9CI)
  • Propinox Hydrochloride
  • 2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium,chloride
  • Propinox Hydrochlori
  • 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
  • Acetic acid,diphenyl(2-propynyloxy)-,2-(dimethylamino)ethyl ester,hydrochloride
  • EINECS 220-439-3

MDL Number

MFCD01672345

Customs Code

2922509090

FAQ

What are the physical and chemical properties of 2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride (CAS: 2765-97-1)?

The compound has a crystalline form. Its molecular weight is approximately 612.39 g/mol. It is sparingly soluble in water but soluble in organic solvents. It is highly reactive due to the presence of functional groups such as ester and amine. The compound exhibits moderate acidity and basicity.

How is 2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride (CAS: 2765-97-1) typically synthesized?

The compound can be synthesized using a multi-step procedure involving acetylation, esterification, and alkylation reactions. The key steps include reacting a phenolic compound with propargyl chloride followed by acetylation and then N,N-dimethylation. The overall yield is moderate, typically around 70-80%.

What industries use 2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride (CAS: 2765-97-1)?

This compound is used in the pharmaceutical industry for its potential as a drug candidate. It may also be used in the polymer industry for modifying polymer properties. Additionally, it could find applications in semiconductor technology due to its functional groups, and in sensor technology for its reactivity.

What precautions should be taken when handling 2-[2,2-Diphenyl(2-propyn-1-yloxy)acetoxy]-N,N-dimethylethanaminium chloride (CAS: 2765-97-1)?

Handle the compound with appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a fume hood to minimize exposure. In case of a spill, immediately clean up with the appropriate absorbent material and dispose of in accordance with safety data sheet (SDS) guidelines. Ensure proper ventilation and avoid inhalation or contact with eyes and skin.

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