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CS-W001157 4
Total: USD 88.00

6-Methoxybenzo[d]isothiazole-3-carboxylic acid

  • CAS No. 677304-64-2

  • Cat. No. CS-0054966
  • Molecule weight209.22
  • Purity≥98%
  • MDL No.MFCD11042715

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

6-Methoxybenzo[d]isothiazole-3-carboxylic acid|CS-0054966

Structure of 677304-64-2

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General Information

  • CAS No. 677304-64-2
  • Cat. No. CS-0054966
  • Purity ≥98%
  • MDL No. MFCD11042715
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃S
  • Molecular Weight 209.22
  • Synonym(s) 6-methoxy-1,2-benzothiazole-3-carboxylic acid
  • SMILES O=C(C1=NSC2=CC(OC)=CC=C12)O

Synthesis

  • Route1
    • null|null
      677304-74-4
    • ~89%
    • 6-Methoxybenzo[d]isothiazole-3-carboxylic acid|CS-0054966
      677304-64-2

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2006/69097 A2, 2006 ; Location in patent: Page/Page column 41-42 ; WO 2006/069097 A2
  • Route2
    • null|null
      932702-34-6
    • ~46%
    • 6-Methoxybenzo[d]isothiazole-3-carboxylic acid|CS-0054966
      677304-64-2
    • 6-Hydroxybenzo[d]isothiazole-3-carboxylic acid|CS-0678861
      932702-33-5

    References

    • Schumacher, Richard; Danca, Mihaela Diana; Ma, Jianguo; Herbert, Brian; Nguyen, True Minh; Xie, Wenge; Tehim, Ashok Patent: US2007/78147 A1, 2007 ; Location in patent: Page/Page column 75 ;
  • Route3
    • null|null
      67-56-1
    • 6-Methoxybenzo[d]isothiazol-3(2H)-one|CS-1043949
      19532-55-9
    • ~91%
    • 6-Methoxybenzo[d]isothiazole-3-carboxylic acid|CS-0054966
      677304-64-2

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2005/92890 A2, 2005 ; Location in patent: Page/Page column 74 ; WO 2005/092890 A2

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   2.0031
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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