Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate | CAS No. 75627-12-2

Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate

Basic Information

CAS Number

75627-12-2

Molecular Formula

C27H30N2O3

Molecular Weight

430.55 g/mol

AD

Basic Physical Properties

CCNC1=CC2=C(C=C1C)C(=C3CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H30N2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24/h8-12,14-15,28-29H,6-7,13H2,1-5H3

InChIKey

QRMFKPKHIPCYEO-UHFFFAOYSA-N

LogP

5.578820000000006

Topological Polar Surface Area

59.59 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

812

Synonyms & References

English

  • 75627-12-2
  • Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatesilicate
  • SCHEMBL7846168
  • Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
  • methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate
  • Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, methyl ester, molybdosilicate
  • EINECS 278-270-6
  • PIGMENT RED 81:2
  • Benzoic acid,2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-,methyl ester,molybdosilicate
  • Xanthylium,3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-,molybdatesilicate
  • C.I. 45161:1
  • 3,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium molybdatesilicate

FAQ

What are the physical and chemical properties of Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2)?

Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2) has a crystalline form with a molecular weight of approximately 582.8 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. This compound is not highly reactive but can decompose when exposed to strong acid or bases. It is stable under normal storage conditions but should be protected from moisture and heat.

How is Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2) typically synthesized?

Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2) is typically synthesized through a multi-step process involving the preparation of the xanthen-9-yl derivative followed by esterification. Commonly, the reaction is catalyzed by sulfuric acid with a high yield. The process requires precise temperature control and the use of appropriate solvents to ensure product purity and selectivity.

What industries use Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2)?

Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2) is used in the pharmaceutical industry for its potential as a drug intermediate or active pharmaceutical ingredient. It also finds applications in the polymer industry as a stabilizer or additive, and in the sensor industry for its specific optical properties.

What precautions should be taken when handling Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2)?

When handling Methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate (CAS: 75627-12-2), it is important to wear appropriate personal protective equipment (PPE) including gloves and safety glasses. The compound should be stored in a dry, cool place away from direct sunlight and heat sources. In case of spill, use appropriate absorbents and dispose of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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