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CS-W001157 4
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Methyl 2-(3-isopropylureido)benzoate

  • CAS No. 100075-58-9

  • Cat. No. CS-0364514
  • Molecule weight236.27
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(3-isopropylureido)benzoate|CS-0364514

Structure of 100075-58-9

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General Information

  • CAS No. 100075-58-9
  • Cat. No. CS-0364514
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂O₃
  • Molecular Weight 236.27
  • Synonym(s) Methyl 2-{[(propan-2-yl)carbamoyl]amino}benzoate
  • SMILES CC(NC(NC1=CC=CC=C1C(OC)=O)=O)C

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • 1-Phenyl-3-(propan-2-yl)urea|CS-0233546
      19895-44-4
    • ~91%
    • Methyl 2-(3-isopropylureido)benzoate|CS-0364514
      100075-58-9

    References

    • Houlden, Chris E.; Hutchby, Marc; Bailey, Chris D.; Ford, J.Gair; Tyler, Simon N. G.; Gagne, Michel R.; Lloyd-Jones, Guy C.; Booker-Milburn, Kevin I. Angewandte Chemie - International Edition, 2009 , vol. 48, # 10 p. 1830 - 1833
  • Route2
    • null|null
      1793-07-3
    • null|null
      75-31-0
    • ~%
    • Methyl 2-(3-isopropylureido)benzoate|CS-0364514
      100075-58-9

    References

    • Krantz; Spencer; Tam; Liak; Copp; Thomas; Rafferty Journal of Medicinal Chemistry, 1990 , vol. 33, # 2 p. 464 - 479

Safety Information

Download SDS
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   67.43
  • LogP   2.0031
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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