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CS-W001157 4
Total: USD 88.00

(5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester

  • CAS No. 879614-93-4

  • Cat. No. CS-0340626
  • Molecule weight242.70
  • Purity≥97%
  • MDL No.None

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

(5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester|CS-0340626

Structure of 879614-93-4

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General Information

  • CAS No. 879614-93-4
  • Cat. No. CS-0340626
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅ClN₂O₂
  • Molecular Weight 242.70
  • Synonym(s) None
  • SMILES CC(C)(OC(NC1=C(Cl)C=CC(N)=C1)=O)C

Synthesis

  • Route1
    • Tert-butyl (2-chloro-5-nitrophenyl)carbamate|CS-0346506
      879614-90-1
    • ~83%
    • (5-Amino-2-chloro-phenyl)-carbamic acid tert-butyl ester|CS-0340626
      879614-93-4

    References

    • CHUGAI SEIYAKU KABUSHIKI KAISHA Patent: EP1790640 A1, 2007 ; Location in patent: Page/Page column 57 ; EP 1790640 A1
  • Route2

    References

    • Wu, Tian-Ming; Wang, Dao-Cai; Xiang, Pu; Zhang, Jian-Nan; Sang, Ya-Xiong; Lin, Hong-Jun; Chen, Jie; Xie, Gang; Song, Hang; Zhao, Ying-Lan; Xie, Yong-Mei Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 5 p. 1426 - 1431
  • Route3

    References

    • Wu, Tian-Ming; Wang, Dao-Cai; Xiang, Pu; Zhang, Jian-Nan; Sang, Ya-Xiong; Lin, Hong-Jun; Chen, Jie; Xie, Gang; Song, Hang; Zhao, Ying-Lan; Xie, Yong-Mei Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 5 p. 1426 - 1431

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   3.2692
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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