2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (1:1) | CAS No. 3321-06-0

2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (1:1)

Basic Information

CAS Number

3321-06-0

Molecular Formula

C24H34ClNO3

Molecular Weight

419.99 g/mol

AD

Basic Physical Properties

CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C.Cl

InChI

InChI=1S/C24H33NO3.ClH/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4;/h7-16,20H,5-6,17-19H2,1-4H3;1H

InChIKey

RSDBEODKTNUEMS-UHFFFAOYSA-N

LogP

4.9096000000000055

Topological Polar Surface Area

38.77 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

417

Synonyms & References

English

  • SCHEMBL9569397
  • BCP19428
  • DENAVERINE HYDROCHLORIDE [WHO-DD]
  • NS00029437
  • BENZENEACETIC ACID, .ALPHA.-(2-ETHYLBUTOXY)-.ALPHA.-PHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
  • Benzeneacetic acid, alpha-(2-ethylbutoxy)-alpha-phenyl-, 2-(dimethylamino)ethyl ester, HCl
  • Benzeneacetic acid, a-(2-ethylbutoxy)-a-phenyl-,2-(dimethylamino)ethyl ester, hydrochloride
  • 2-(DIMETHYLAMINO)ETHYL (2-ETHYLBUTOXY)DIPHENYLACETATE HYDROCHLORIDE
  • DTXSID60186859
  • O-(2-Aethylbutoxy)-benzilsaeure-2-dimethylaminoaethyl ester hydrochlorid
  • Denaverine hydrochloride
  • O-(2-Aethylbutoxy)-benzilsaeure-2-dimethylaminoaethyl ester hydrochlorid [German]
  • D07788
  • ACETIC ACID, (2-ETHYLBUTOXY)DIPHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTER HYDROCHLORIDE
  • 5-tert-Butyl-2-propoxybenzenesulfonylchloride
  • Spasmalgan (TN)
  • UNII-2AFK8FCD4R
  • C24H34ClNO3
  • 2AFK8FCD4R
  • Q27254479
  • Acetic acid, 2-(ethylbutoxy)diphenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
  • 2-(dimethylamino)ethyl 2-(2-ethylbutoxy)-2,2-diphenylacetate;hydrochloride
  • 3321-06-0
  • DENAVERINE HCL
  • Spasmalgan
  • Benzeneacetic acid, a-(2-ethylbutoxy)-a-phenyl-, 2-(dimethylamino)ethylester, hydrochloride (9CI)
  • 2-(dimethylamino)ethyl 2-(2-ethylbutoxy)-2,2-diphenylacetate,hydrochloride
  • Denaverine
  • Denaverinhydrochlorid

MDL Number

MFCD01672309

Customs Code

2922509090

FAQ

What are the physical and chemical properties of 2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0)?

2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0) is a crystalline solid with a molecular weight of approximately 524.5 g/mol. It has a high solubility in organic solvents such as dichloromethane and acetone. This compound is relatively stable under normal conditions but can react with strong bases. It is commonly used in pharmaceutical and chemical synthesis due to its unique structure and reactivity.

How is 2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0) typically synthesized?

2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride is synthesized via a multi-step process involving acetylation of 2-ethylbutoxy diphenyl ether followed by alkylation and N-methylation. The reaction typically requires the use of stoichiometric amounts of reagents and is carried out under anhydrous conditions. The yield is generally between 60-80%, and the product is isolated by recrystallization from a suitable solvent.

What industries use 2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0)?

2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0) finds application in pharmaceuticals, where it serves as an intermediate in the synthesis of various drugs. It is also used in the polymer industry for the synthesis of specialized polymers with enhanced properties. Additionally, this compound is utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0)?

When handling 2-(Dimethylamino)ethyl (2-ethylbutoxy)(diphenyl)acetate hydrochloride (CAS: 3321-06-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.

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