9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride | CAS No. 3571-37-7

9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride

Basic Information

CAS Number

3571-37-7

Molecular Formula

C32H39ClN2O3

Molecular Weight

535.12 g/mol

AD

Basic Physical Properties

[Cl-].O=C(OCCCC)c4ccccc4C=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC

InChI

InChI=1S/C32H39N2O3.ClH/c1-6-11-20-36-32(35)26-15-13-12-14-25(26)31-27-18-16-23(33(7-2)8-3)21-29(27)37-30-22-24(17-19-28(30)31)34(9-4)10-5;/h12-19,21-22H,6-11,20H2,1-5H3;1H/q+1;/p-1

InChIKey

RZODCBGJJQHDBD-UHFFFAOYSA-M

LogP

5.18740

Synonyms & References

English

  • Xanthylium,9-[2-(butoxycarbonyl)phenyl]-3,6-bis(diethylamino)-, chloride (1:1)
  • RhodamineB buty ester
  • Butylrhodamine
  • [9-(2-Butoxycarbonylphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride
  • 9-[2-(Butoxycarbonyl)phenyl]-3,6-bis(diethylamino) xanthylium chloride
  • Butylrhodamine C
  • Butylrhodamine S
  • Rhodamine B, butyl ester
  • Butyl rhodamine B
  • 2'-(6-diethylamino-3-diethylimino-3H-xanthen-9-yl)benzoic acid n-butyl ester chloride
  • 9-(2-Butoxycarbonyl-phenyl)-3,6-bis-diaethylamino-xanthylium,Chlorid
  • 9-(2-butoxycarbonyl-phenyl)-3,6-bis-diethylamino-xanthylium,chloride
  • But
  • Butylmercuric chloride
  • Butylmercury chloride
  • Butylmerkurichlorid [Czech]
  • Butyl-quecksilber(II)-chlorid
  • Butylquecksilberchlorid
  • MERCURY,BUTYLCHLORO
  • n-Butylquecksilberchlorid
  • rhodamine B n-butyl ester hydrochloride
  • Rhodamine S butyl ester

MDL Number

MFCD00228007

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 3571-37-7)?

This compound is a crystalline solid with a molecular weight of approximately 502.6 g/mol. It has a high solubility in organic solvents like methanol and ethanol. Chemically, it is an iminium salt and shows reactivity under basic conditions. It has good stability in neutral and acidic environments but can degrade in strong bases.

How is 9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 3571-37-7) typically synthesized?

The compound is typically synthesized through a multistep reaction involving the coupling of a substituted xanthenone with diethylamine followed by butoxycarbonylation. This process requires precise control of reaction conditions to achieve high yield and selectivity. Suitable catalysts and solvents are used to facilitate the reaction and improve product purity.

What industries use 9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 3571-37-7)?

This compound is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It also finds applications in the production of colorants and fluorescent materials. Its properties make it useful in sensors and semiconductor technologies as well.

What precautions should be taken when handling 9-[2-(Butoxycarbonyl)phenyl]-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride (CAS: 3571-37-7)?

Proper personal protective equipment (PPE) is essential, including gloves, goggles, and laboratory coats. Handle the compound in a well-ventilated area or fume hood. Avoid contact with skin and eyes, and use appropriate spill cleanup procedures as outlined in the safety data sheet (SDS).

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