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CS-W001157 4
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(R)-2-Bromobutyric Acid

  • CAS No. 2681-94-9

  • Cat. No. CS-0142640
  • Purity≥95%
  • MDL No.None

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

(R)-2-Bromobutyric Acid|CS-0142640

Structure of 2681-94-9

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General Information

  • CAS No. 2681-94-9
  • Cat. No. CS-0142640
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇BrO₂
  • Molecular Weight 167.00
  • Synonym(s) (R)-2-BROMOBUTANOIC ACID
  • SMILES Br[C@@H](C(O)=O)CC

Description

(R)-2-Bromobutyric Acid is a chiral building block featuring a stereodefined bromine atom at the α-position, enabling selective functionalization in asymmetric synthesis. This bench-stable carboxylic acid derivative facilitates efficient access to enantiopure intermediates through nucleophilic substitution or metal-catalyzed coupling reactions.

Synthesis

  • Route1

    References

    • Shionogi and Co., Ltd.; HISAKAWA, Shinya; HASEGAWA, Yasushi; AOKI, Toshiaki; KUSANO, Hiroki; SANO, Masayuki; SATO, Jun; YAMAWAKI, Kenji Patent: EP2557082 A1, 2013 ; Location in patent: Paragraph 0182; 0183 ;
  • Route2

    References

    • Ahlberg Journal fuer Praktische Chemie (Leipzig), 1932 , vol. <2>135, p. 337,339
  • Route3

    References

    • Brenna, Elisabetta; Gatti, Francesco G.; Manfredi, Alessia; Monti, Daniela; Parmeggiani, Fabio Organic Process Research and Development, 2012 , vol. 16, # 2 p. 262 - 268

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H302-H314
Precautionary Statements : P234-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.2445
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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