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CS-W001157 4
Total: USD 88.00

2-Amino-4-(methoxycarbonyl)benzoic acid

  • CAS No. 85743-02-8

  • Cat. No. CS-W006509
  • Purity≥96%
  • MDL No.MFCD08690068

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

2-Amino-4-(methoxycarbonyl)benzoic acid|CS-W006509

Structure of 85743-02-8

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General Information

  • CAS No. 85743-02-8
  • Cat. No. CS-W006509
  • Purity ≥96%
  • MDL No. MFCD08690068
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 2-AMINO-4-METHOXYCARBONYL BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(C(OC)=O)C=C1N

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; SCHERING CORPORATION; ASLANIAN, Robert, G.; BOYCE, Christopher, W.; MAZZOLA, Robert, D., Jr.; MCKITTRICK, Brian, A.; MCCORMICK, Kevin, D.; PALANI, Anandan; QIN, Jun; TANG, Haiqun; XIAO, Dong; YU, Younong; CALDWELL, John, P.; KELLEY, Elizabeth Helen; ZHANG, Hongjun; SILIPHAIVANH, Phieng; MACCOSS, Rachel, N.; METHOT, Joey, L.; GAUUAN, Jolicia Polivina; JIANG, Qin; LEYHANE, Andrew, J.; BIJU, Purakkattle Johny; DONG, Li; HUANG, Xianhai; SHAO, Ning; ZHOU, Wei; DHONDI, Pawan, K. Patent: WO2012/51036 A1, 2012 ; Location in patent: Page/Page column 79 ; WO 2012/051036 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-Aminoterephthalic acid|CS-W004675
      10312-55-7
    • ~79%
    • In-stock
      2-Amino-4-(methoxycarbonyl)benzoic acid|CS-W006509
      85743-02-8

    References

    • NEUROTUNE AG; AHMED, Shaheen; HETTWER, Stefan; VRIJBLOED, Jan Willem; FARINA, Carlo; ALLGEIER, Hans Patent: WO2012/59442 A2, 2012 ; Location in patent: Page/Page column 92; 106 ; WO 2012/059442 A2
  • Route3

    References

    • Doria; Passarotti; Magrini; Sala; Sberze; Tibolla; Arcari; Ceserani; Castello Farmaco, Edizione Scientifica, 1984 , vol. 39, # 11 p. 968 - 978

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

Quality Control

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Computational Chemistry Data

  • TPSA   89.62
  • LogP   0.7536
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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