(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine | CAS No. 79836-45-6

(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine

Basic Information

CAS Number

79836-45-6

Molecular Formula

C17H17Cl2N

Molecular Weight

306.24 g/mol

AD

Basic Physical Properties

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m1/s1

InChIKey

VGKDLMBJGBXTGI-PXAZEXFGSA-N

LogP

5.179600000000003

Topological Polar Surface Area

12.03 Ų

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

322

Synonyms & References

English

  • PD062159
  • BDBM82217
  • rac-trans-Sertraline
  • Q27260225
  • Racemic trans-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl- 1-napthalenamine
  • UNII-4N6S45X78A
  • DTXSID50904948
  • [4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
  • AKOS030242812
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, trans-(+/-)-
  • (1R,4S)-4-(3,4-DICHLOROPHENYL)-N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE
  • Sertraline, (1RS,4SR)-
  • 107508-17-8
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1R,4S)-rel-
  • SCHEMBL3947169
  • CP-52003
  • trans-(+/-)-sertraline
  • CHEMBL284994
  • Sertraline, trans-(+/-)-
  • Sertraline hydrochloride specified impurity A [EP]
  • (1R,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine
  • C90546
  • (1RS,4SR)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
  • (1R,4S)-Trans-Sertraline
  • VGKDLMBJGBXTGI-YVEFUNNKSA-N
  • 4N6S45X78A
  • 79836-45-6
  • SERTRALINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
  • 1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1R,4S)-rel-
  • RAC TRANS SERTRALINE
  • (rac)-trans-sertraline

MDL Number

MFCD18251421

FAQ

What are the physical and chemical properties of (1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine (CAS: 79836-45-6)?

(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine is a crystalline solid with a molecular weight of approximately 297.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. The compound is relatively stable under normal conditions but can react with strong bases. It is used in various organic synthesis reactions due to its aromatic and amine functionalities.

How is (1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine (CAS: 79836-45-6) typically synthesized?

(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine can be synthesized through the reaction of 3,4-dichloroaniline with 1-naphthylmagnesium bromide followed by a Grignard reaction. The process involves the use of a catalyst and proceeds with high selectivity to yield the desired product with a good yield of up to 75-85%.

What industries use (1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine (CAS: 79836-45-6)?

(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It also finds applications in the production of certain polymers and organic semiconductors due to its aromatic and amine functionalities. Further research is ongoing to explore its potential in other industries.

What precautions should be taken when handling (1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine (CAS: 79836-45-6)?

When handling (1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Work must be conducted in a well-ventilated area or fume hood to minimize exposure to vapors. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific safety guidelines. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials.

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