(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | CAS No. 128196-01-0

(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

Basic Information

CAS Number

128196-01-0

Molecular Formula

C20H21FN2O

Molecular Weight

324.4 g/mol

AD

Basic Physical Properties

Specific Rotation

D +12.33° (c = 1 in methanol)

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1

InChIKey

WSEQXVZVJXJVFP-FQEVSTJZSA-N

LogP

2.96858

Complexity

466

Synonyms & References

English

  • (S)-(+)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile
  • KBio2_007017
  • S-(+)-1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE
  • 2-METHOXYETHYLP-TOLUENESULFONATE
  • (1S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
  • DB01175
  • HSDB 8410
  • 4O4S742ANY
  • SB17453
  • CS-2053
  • ESCITALOPRAM (EP MONOGRAPH)
  • AB00698374-09
  • NCGC00025160-01
  • Lopac-C-7861
  • Spectrum2_000551
  • CHEBI:36791
  • S(+)-Citalopram
  • S-(+)-5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-
  • (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
  • CHEMBL1508
  • 128196-01-0
  • SPBio_000621
  • ESCITALOPRAM [MI]
  • ESCITALOPRAM [EP MONOGRAPH]
  • (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
  • 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
  • ESCITALOPRAM [WHO-DD]
  • KBio3_001864
  • AKOS017343470
  • (s)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
  • Esitol

MDL Number

MFCD09817397

Customs Code

2932999099

FAQ

What regulatory guidelines apply to (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 128196-01-0)?

This compound is classified as a chemical substance under GHS for flammability and health hazards. For production, it must comply with REACH regulations to ensure no harmful substances are used. In the U.S., it falls under the jurisdiction of the EPA and FDA, requiring adherence to specific labeling, storage, and disposal requirements. Detailed documentation and environmental assessments are necessary to ensure compliance with these guidelines.

Are there alternatives to (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 128196-01-0) in synthesis?

While (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is a unique compound, alternatives include other fluoro-benzofuran derivatives with similar functional groups. Common alternatives include using different aromatic rings or varying the substituents. Isomers and analogs can also be explored for specific applications, but careful consideration of reactivity and synthesis challenges is required.

What is the market or research trend for (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 128196-01-0)?

The market for (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is growing due to its potential in pharmaceutical applications. Research trends focus on understanding its pharmacological properties and developing it as a drug candidate. Market demand is driven by increasing interest in targeted therapies and novel drug development, particularly in the treatment of neurological and inflammatory conditions.

How should waste containing (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 128196-01-0) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately. Incineration is a common disposal method, but it must be conducted under controlled conditions to prevent environmental contamination. Alternatively, professional waste disposal services can handle the waste safely. Environmental protection measures include using appropriate personal protective equipment and ensuring all waste is disposed of according to local and international regulations.

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