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CS-W001157 4
Total: USD 88.00

3-(1,3-Benzothiazol-2-yl)propanoic acid

  • CAS No. 29198-86-5

  • Cat. No. CS-0307457
  • Purity95+%
  • MDL No.None

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

3-(1,3-Benzothiazol-2-yl)propanoic acid|CS-0307457

Structure of 29198-86-5

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General Information

  • CAS No. 29198-86-5
  • Cat. No. CS-0307457
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂S
  • Molecular Weight 207.25
  • Synonym(s) 3-(Benzo[d]thiazol-2-yl)propanoic acid
  • SMILES C1=CC=C2C(=C1)N=C(CCC(=O)O)S2

Synthesis

  • Route1
    • 4-(Methoxy(methyl)amino)-4-oxobutanoic acid|CS-0100315
      1156151-44-8
    • null|null
      137-07-5
    • ~88%
    • 3-(1,3-Benzothiazol-2-yl)propanoic acid|CS-0307457
      29198-86-5

    References

    • Bommegowda, Yadaganahalli K.; Lingaraju, Gejjalagere S.; Thamas, Saji; Vinay Kumar, Koravangala S.; Pradeepa Kumara, Challanayakanahally S.; Rangappa, Kanchugarakoppal S.; Sadashiva, Marilinganadoddi P. Tetrahedron Letters, 2013 , vol. 54, # 21 p. 2693 - 2695
  • Route2

    References

    • CONNEXIOS LIFE SCIENCES PVT. LTD.; RAO, Jagannath Madanahalli Ranganath; VENKATESHAM, Uppala; GEORGE, Jenson; FERNAND, George; DOPPALAPUDI, Sivanageswara Rao; MADHAVAN, G R; ARUMUGAM, Nagarajan; ANSARI, Mohammed; MURUGAVEL, K; PRADEEP, Jidugu; ALLAVUDDEEN, Sulthan; VIJAYARAMALINGAM, K; PRASAD, Hampelingaiah Shiva; RAJ, Augustine Michael; GNANAVEL, S; KOTTAMALAI, Ramamoorthy; BABU, Naresh M P S; KENCHEGOWDA, Bommegowda Yadaganahalli Patent: WO2013/128465 A1, 2013 ; Location in patent: Page/Page column 138 ;
  • Route3
    • null|null
      4938-01-6
    • null|null
      137-07-5
    • ~%
    • 3-(1,3-Benzothiazol-2-yl)propanoic acid|CS-0307457
      29198-86-5

    References

    • Rudrawar, Santosh; Kondaskar, Atul; Chakraborti, Asit K. Synthesis, 2005 , # 15 art. no. Z05105SS, p. 2521 - 2526

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H225-H314
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.3135
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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