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CS-W001157 4
Total: USD 88.00

2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

  • CAS No. 1122661-16-8

  • Cat. No. CS-0572435
  • Purity≥98%
  • MDL No.None

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

2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile|CS-0572435

Structure of 1122661-16-8

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General Information

  • CAS No. 1122661-16-8
  • Cat. No. CS-0572435
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClN₂O₂
  • Molecular Weight 240.69
  • Synonym(s) None
  • SMILES N#CC1=CC(OC)=C(OCCCCl)C=C1N

Synthesis

  • Route1
    • null|null
      1122661-13-5
    • ~69%
    • 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile|CS-0572435
      1122661-16-8

    References

    • SHENYANG PHARMACEUTICAL UNIVERSITY Patent: US2011/183972 A1, 2011 ; Location in patent: Page/Page column 15 ; US 20110183972 A1
  • Route2

    References

    • Zhao, Xing-Wang; Liu, Dan; Luan, Sheng-Lin; Hu, Guo-Dong; Lv, Jin-Ling; Jing, Yong-Kui; Zhao, Lin-Xiang Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 24 p. 7807 - 7815
  • Route3
    • null|null
      210918-52-8
    • ~%
    • 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile|CS-0572435
      1122661-16-8

    References

    • SHENYANG PHARMACEUTICAL UNIVERSITY Patent: US2011/183972 A1, 2011 ; US 20110183972 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   68.27
  • LogP   2.15678
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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