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CS-W001157 4
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Dimethyl (methylenebis(4,1-phenylene))dicarbamate

  • CAS No. 7450-63-7

  • Cat. No. CS-0162750
  • Purity≥98%
  • MDL No.None

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

Dimethyl (methylenebis(4,1-phenylene))dicarbamate|CS-0162750

Structure of 7450-63-7

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General Information

  • CAS No. 7450-63-7
  • Cat. No. CS-0162750
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₈N₂O₄
  • Molecular Weight 314.34
  • Synonym(s) DIMETHYL 4',4''-METHYLENEDICARBANILATE
  • SMILES O=C(OC)NC1=CC=C(CC2=CC=C(NC(OC)=O)C=C2)C=C1

Description

Dimethyl (methylenebis(4,1-phenylene))dicarbamate features a rigid bisaryl backbone with dual carbamate ester groups, enabling efficient incorporation into peptide mimetics and bioactive scaffolds. The methylene bridge imparts conformational stability, while the terminal carbamates offer tunable reactivity for late-stage functionalization in synthetic medicinal chemistry workflows.

Application

Dimethyl (methylenebis(4,1-phenylene))dicarbamate serves as a stable, bench-ready diol protecting group precursor, enabling selective protection of vicinal diols under mild conditions. Its rigid aromatic backbone provides excellent regioselectivity in cyclic carbonate formation and functions effectively in the synthesis of complex heterocyclic scaffolds. The molecule exhibits high functional group tolerance and facilitates straightforward purification via crystallization or flash chromatography, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      101-77-9
    • null|null
      616-38-6
    • ~95%
    • In-stock
      Dimethyl (methylenebis(4,1-phenylene))dicarbamate|CS-0162750
      7450-63-7

    References

    • Bayer MaterialScience AG Patent: EP2230228 A1, 2010 ; Location in patent: Page/Page column 9; 10 ;
  • Route2
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      67-56-1
    • null|null
      2597-44-6
    • 4,4-Dinitrodiphenylmethane|CS-0157624
      1817-74-9
    • ~90%
    • In-stock
      Dimethyl (methylenebis(4,1-phenylene))dicarbamate|CS-0162750
      7450-63-7

    References

    • Yang, Qian; Robertson, Al; Alper, Howard Organic Letters, 2008 , vol. 10, # 21 p. 5079 - 5082
  • Route3
    • null|null
      67-56-1
    • null|null
      101-68-8
    • ~99%
    • In-stock
      Dimethyl (methylenebis(4,1-phenylene))dicarbamate|CS-0162750
      7450-63-7

    References

    • Caraculacu, Adrian A.; Agherghinei, Ion; Gaspar, Mariana; Prisacariu, Cristina Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1990 , # 8 p. 1343 - 1348

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H400-H410
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.66
  • LogP   3.634
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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