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CS-W001157 4
Total: USD 88.00

(1R,2R)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid

  • CAS No. 791594-13-3

  • Cat. No. CS-B0546
  • Molecule weight297.15
  • Purity≥98%
  • MDL No.MFCD11977771

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

(1R,2R)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid|CS-B0546

Structure of 791594-13-3

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General Information

  • CAS No. 791594-13-3
  • Cat. No. CS-B0546
  • Purity ≥98%
  • MDL No. MFCD11977771
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃BrO₃
  • Molecular Weight 297.15
  • Synonym(s) None
  • SMILES O=C(C(C=C1)=CC=C1Br)[C@H](CCC2)[C@@H]2C(O)=O

Synthesis

  • Route1
    • null|null
      1214270-80-0
    • ~%
    • In-stock
      (1R,2R)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid|CS-B0546
      791594-13-3
    • (1S,2S)-2-(4-bromobenzoyl)cyclopentanecarboxylic acid|CS-M0084
      959123-24-1

    References

    • Ravn, Matthew M.; Wagaw, Seble H.; Engstrom, Kenneth M.; Mei, Jianzhang; Kotecki, Brian; Souers, Andrew J.; Kym, Philip R.; Judd, Andrew S.; Zhao, Gang Organic Process Research and Development, 2010 , vol. 14, # 2 p. 417 - 424
  • Route2
    • null|null
      108-94-1
    • ~%
    • In-stock
      (1R,2R)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid|CS-B0546
      791594-13-3
    • (1S,2S)-2-(4-bromobenzoyl)cyclopentanecarboxylic acid|CS-M0084
      959123-24-1

    References

    • Ravn, Matthew M.; Wagaw, Seble H.; Engstrom, Kenneth M.; Mei, Jianzhang; Kotecki, Brian; Souers, Andrew J.; Kym, Philip R.; Judd, Andrew S.; Zhao, Gang Organic Process Research and Development, 2010 , vol. 14, # 2 p. 417 - 424
  • Route3
    • In-stock
      Ethyl 2-oxocyclohexanecarboxylate|CS-M0078
      1655-07-8
    • ~%
    • In-stock
      (1R,2R)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid|CS-B0546
      791594-13-3
    • (1S,2S)-2-(4-bromobenzoyl)cyclopentanecarboxylic acid|CS-M0084
      959123-24-1

    References

    • Ravn, Matthew M.; Wagaw, Seble H.; Engstrom, Kenneth M.; Mei, Jianzhang; Kotecki, Brian; Souers, Andrew J.; Kym, Philip R.; Judd, Andrew S.; Zhao, Gang Organic Process Research and Development, 2010 , vol. 14, # 2 p. 417 - 424

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   3.1327
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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