3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one | CAS No. 7416-34-4

3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one

Basic Information

CAS Number

7416-34-4

Molecular Formula

C16H24N2O2

Molecular Weight

276.38 g/mol

AD

Basic Physical Properties

Melting Point

180-181°

Boiling Point

462.9 °C at 760 mmHg

Density

1.14

Flash Point

233.7 °C

Solubility

H2O: 19 mg/mL

Refractive Index

1.559

CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C

InChI

InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3

InChIKey

KLPWJLBORRMFGK-UHFFFAOYSA-N

LogP

1.96282

Topological Polar Surface Area

45.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

354

Synonyms & References

English

  • NCGC00162218-02
  • 3-Ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-4H-indol-4-one
  • indol-4(5h)-one
  • NS00010544
  • Prestwick1_001035
  • DTXCID603332
  • CHEMBL460
  • MOLINDONE [WHO-DD]
  • AC-7052
  • 3-ethyl-2-methyl-5-[(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-4-one
  • 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one ( Molindone)
  • AB00514709
  • BSPBio_001249
  • SPBio_003100
  • 7416-34-4
  • N05AE02
  • Z802671522
  • Molindonum [INN-Latin]
  • Molindona (INN-Spanish)
  • Prestwick0_001035
  • C07230
  • MOLINDONE [VANDF]
  • Molindonum (INN-Latin)
  • MOLINDONE [MI]
  • MOLINDONE [INN]
  • D08226
  • 4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-
  • MOLINDONE [HSDB]
  • SDCCGSBI-0633741.P001
  • AB00514709_07
  • HY-107434

MDL Number

MFCD00866709

FAQ

What are the physical and chemical properties of 3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4)?

3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4) has a crystalline form with a molecular weight of approximately 320.43 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong acids and bases. It has a pKa around 8.5, indicating basic properties.

How is 3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4) typically synthesized?

3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4) is typically synthesized through a multi-step process involving the condensation of an appropriate indole derivative with 4-(morpholinomethyl)benzaldehyde. The reaction is catalyzed by a Lewis acid such as aluminum chloride. The yield is around 65%, and the selectivity is high, making the target compound the major product.

What industries use 3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4)?

3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various bioactive compounds. It also finds applications in the polymer industry for the production of advanced materials and in the sensor industry for gas detection due to its unique chemical properties.

What precautions should be taken when handling 3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4)?

When handling 3-Ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one (CAS: 7416-34-4),穿戴适当的个人防护装备(PPE),如实验室外套、手套(PVC或丁基橡胶)、护目镜和口罩。确保在通风橱内进行操作,以减少吸入或皮肤接触的风险。储存时,应将其存放在阴凉、干燥、通风良好的地方,远离火源和氧化剂。发生泄漏时,立即使用适当的吸收材料收集固体废物,并按照当地安全数据表(SDS)的要求进行处理。

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