(2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol | CAS No. 139264-69-0

(2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol

Basic Information

CAS Number

139264-69-0

Molecular Formula

C15H23N3O

Molecular Weight

261.37 g/mol

AD

Basic Physical Properties

Density

1.157±0.06 g/cm3 (20 ºC 760 Torr),

CN(C)CCc1c[nH]c2c1cc(cc2)C[C@@H](CO)N

InChI

InChI=1S/C15H23N3O/c1-18(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13(16)10-19/h3-4,8-9,13,17,19H,5-7,10,16H2,1-2H3/t13-/m0/s1

InChIKey

XYSYRJCYRKMOFP-ZDUSSCGKSA-N

LogP

1.1340999999999999

Topological Polar Surface Area

65.28 Ų

Hydrogen Bond Donor/Acceptor

4 / 4

Synonyms & References

English

  • Zolmitriptan Related Compound B
  • (S)-β-Amino-3-[2-(dimethylamino)ethyl]-1H-indole-5-propanol
  • (2S)-2-amino-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]propan-1-ol
  • ((S)-2-Amino-3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)propan-1-ol
  • 2-(S)-amino-3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]propan-1-ol
  • Decarbonyl zolmitriptan
  • UNII-H8D1T877WE
  • Zolmitriptan related compound B RS [USP]
  • (S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}propan-1-ol
  • (S)-2-amino-3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)propan-1-ol

MDL Number

MFCD27965889

FAQ

What are the physical and chemical properties of (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol (CAS: 139264-69-0)?

The compound (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol is a crystalline solid with a molecular weight of approximately 364.46 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and ethanol. The compound shows moderate reactivity; it can undergo amine and alcohol functional group reactions. It does not have significant volatility or flammability, but safety precautions should be taken during handling.

How is (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol (CAS: 139264-69-0) typically synthesized?

The compound (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol can be synthesized by a multi-step process, typically involving the formation of an indole derivative followed by coupling with 2-(dimethylamino)ethylamine. Common solvents for these reactions include DMF or DMSO. The synthesis often employs palladium catalysts for the coupling reaction and is optimized for high yield and selectivity. Detailed procedures can be found in research literature.

What industries use (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol (CAS: 139264-69-0)?

The compound (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It may also find applications in the development of new sensors due to its functional groups, which could enhance its sensitivity and selectivity. Additionally, it could be relevant in the synthesis of certain polymers and semiconductors due to its aromatic and amine functionalities.

What precautions should be taken when handling (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol (CAS: 139264-69-0)?

When handling (2S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-1-propanol, it is important to use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using suitable absorbent materials. Refer to the Material Safety Data Sheet (MSDS) for detailed information and emergency procedures. The compound is not highly reactive but should be handled with care to avoid accidental exposure or contamination.

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