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CS-W001157 4
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3-(4-Chlorophenyl)propan-1-ol

  • CAS No. 6282-88-8

  • Cat. No. CS-0149450
  • Purity≥95%
  • MDL No.MFCD00831102

*For research and further manufacturing use only, not for direct human use.

3-(4-Chlorophenyl)propan-1-ol|CS-0149450

Structure of 6282-88-8

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General Information

  • CAS No. 6282-88-8
  • Cat. No. CS-0149450
  • Purity ≥95%
  • MDL No. MFCD00831102
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClO
  • Molecular Weight 170.64
  • Synonym(s) 3-(4-CHLOROPHENYL)PROPANOL
  • SMILES OCCCC1=CC=C(Cl)C=C1

Description

3-(4-Chlorophenyl)propan-1-ol features a chlorinated aromatic ring linked to a flexible hydroxyl-bearing alkyl chain, enabling integration into diverse synthetic scaffolds. This structure supports conjugation with electrophiles and facilitates downstream functionalization in medicinal chemistry and materials development under standard conditions.

Application

3-(4-Chlorophenyl)propan-1-ol serves as a versatile building block in medicinal chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. Its benzylic alcohol functionality facilitates straightforward derivatization via oxidation, protection, or coupling reactions. The pendant chlorophenyl group offers compatibility with palladium-catalyzed cross-coupling processes, enhancing its utility in the synthesis of pharmaceutical intermediates and functional materials. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step synthetic sequences.

Synthesis

  • Route1

    References

    • BIORELIX, INC.; COISH, Philip, D., G.; DIXON, Brian, R.; OSTERMAN, David; ARISTOFF, Paul, Adrian; NAVIA, Manuel; SCIAVOLINO, Frank; AVOLA, Stephanie; BABOULAS, Nick; BELLIOTTI, Thomas, R.; BELLO, Angelica; BERMAN, Judd; CHRUSCIEL, Robert, A.; EVANS, Bruce, R.; KAUR, Harpreet; MOON, David; PHAM, Vinh; ROUGHTON, Andrew; WICKENS, Phil; WILSON, Jeffrey Patent: WO2011/126567 A1, 2011 ; Location in patent: Page/Page column 163-164 ;
  • Route2

    References

    • BASF SE; RENNER, Jens; DIETZ, Jochen; GLAeTTLI, Alice; GROTE, Thomas; GRAMMENOS, Wassilios; MUeLLER, Bernd; LOHMANN, Jan Klaas; ULMSCHNEIDER, Sarah; VRETTOU-SCHULTES, Marianna Patent: WO2010/146111 A1, 2010 ; Location in patent: Page/Page column 113-114 ;
  • Route3

    References

    • Nestl, Bettina M.; Glueck, Silvia M.; Hall, Melanie; Kroutil, Wolfgang; Stuermer, Rainer; Hauer, Bernhard; Faber, Kurt European Journal of Organic Chemistry, 2006 , # 20 p. 4573 - 4577

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.2649
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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