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tert-Butyl (2-(4-bromophenyl)-2-oxoethyl)carbamate

  • CAS No. 339185-70-5

  • Cat. No. CS-0380561
  • Molecule weight314.18
  • Purity≥98%
  • MDL No.MFCD20921604

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

tert-Butyl (2-(4-bromophenyl)-2-oxoethyl)carbamate|CS-0380561

Structure of 339185-70-5

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General Information

  • CAS No. 339185-70-5
  • Cat. No. CS-0380561
  • Purity ≥98%
  • MDL No. MFCD20921604
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BrNO₃
  • Molecular Weight 314.18
  • Synonym(s) tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate
  • SMILES O=C(OC(C)(C)C)NCC(C1=CC=C(Br)C=C1)=O

Synthesis

  • Route1

    References

    • Yu, Wensheng; Tong, Ling; Kim, Seong Heon; Wong, Michael K.C.; Chen, Lei; Yang, De-Yi; Shankar, Bandarpalle B.; Lavey, Brian J.; Zhou, Guowei; Kosinski, Aneta; Rizvi, Razia; Li, Dansu; Feltz, Robert J.; Piwinski, John J.; Rosner, Kristin E.; Shih, Neng-Yang; Siddiqui, M. Arshad; Guo, Zhuyan; Orth, Peter; Shah, Himanshu; Sun, Jing; Umland, Shelby; Lundell, Daniel J.; Niu, Xiaoda; Kozlowski, Joseph A. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 17 p. 5286 - 5289
  • Route2

    References

    • Alam, Muzaffar; Berthel, Steven Joseph; Brinkman, John A.; Hawley, Ronald Charles; Li, Hongju; Palmer, Wylie Solang; Pietranico-Cole, Sherrie; Sarabu, Ramakanth; Smith, Mark; So, Sung-Sau; Yi, Lin; Zhai, Yansheng; Zhang, Qiang; Zhao, Shu-Hai Patent: US2012/230951 A1, 2012 ; Location in patent: Page/Page column 63 ;
  • Route3

    References

    • Kazmierski, Wieslaw M.; Maynard, Andrew; Duan, Maosheng; Baskaran, Sam; Botyanszki, Janos; Crosby, Renae; Dickerson, Scott; Tallant, Matthew; Grimes, Rick; Hamatake, Robert; Leivers, Martin; Roberts, Christopher D.; Walker, Jill Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 2058 - 2073

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   3.1565
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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