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CS-W001157 4
Total: USD 88.00

Diethyl 2-(1-(4-acetamidophenyl)-1-oxopropan-2-yl)malonate

  • CAS No. 81937-39-5

  • Cat. No. CS-0141831
  • Purity≥98%
  • MDL No.MFCD23135508

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

Diethyl 2-(1-(4-acetamidophenyl)-1-oxopropan-2-yl)malonate|CS-0141831

Structure of 81937-39-5

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General Information

  • CAS No. 81937-39-5
  • Cat. No. CS-0141831
  • Purity ≥98%
  • MDL No. MFCD23135508
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₃NO₆
  • Molecular Weight 349.38
  • Synonym(s) Propanedioic acid, 2-[2-[4-(acetylamino)phenyl]-1-methyl-2-oxoethyl]-, 1,3-diethyl ester
  • SMILES O=C(OCC)C(C(C)C(C1=CC=C(NC(C)=O)C=C1)=O)C(OCC)=O

Synthesis

  • Route1
    • N-(4-(2-Chloropropanoyl)phenyl)acetamide|CS-0141830
      81112-08-5
    • null|null
      105-53-3
    • ~77%
    • Diethyl 2-(1-(4-acetamidophenyl)-1-oxopropan-2-yl)malonate|CS-0141831
      81937-39-5

    References

    • Boehringer Ingelheim Pharma GmbH and Co. KG Patent: US7230001 B1, 2007 ; Location in patent: Page/Page column 87 ; US 7230001 B1
  • Route2
    • N-(4-(2-Bromopropanoyl)phenyl)acetamide|CS-0154988
      63514-63-6
    • null|null
      105-53-3
    • ~85%
    • Diethyl 2-(1-(4-acetamidophenyl)-1-oxopropan-2-yl)malonate|CS-0141831
      81937-39-5

    References

    • Wang, Teng; Dong, Ying; Wang, Li-Chen; Chen, Zhen Arzneimittel-Forschung/Drug Research, 2007 , vol. 57, # 10 p. 641 - 646
  • Route3
    • null|null
      103-84-4
    • ~%
    • Diethyl 2-(1-(4-acetamidophenyl)-1-oxopropan-2-yl)malonate|CS-0141831
      81937-39-5

    References

    • Burpitt; Crawford; Davies; Mistry; Mitchell; Pancholi; Coates Journal of Heterocyclic Chemistry, 1988 , vol. 25, # 6 p. 1689 - 1695

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   98.77
  • LogP   2.2062
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   8

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