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CS-W001157 4
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Dimethyl 2-aminoisophthalate

  • CAS No. 57053-02-8

  • Cat. No. CS-0052739
  • Purity≥96%
  • MDL No.MFCD18431747

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

Dimethyl 2-aminoisophthalate|CS-0052739

Structure of 57053-02-8

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General Information

  • CAS No. 57053-02-8
  • Cat. No. CS-0052739
  • Purity ≥96%
  • MDL No. MFCD18431747
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Dimethyl 2-aminoisophthalic acid
  • SMILES COC(=O)C1=CC=CC(C(=O)OC)=C1N

Description

Dimethyl 2-aminoisophthalate features a bifunctional ester-amine architecture enabling direct incorporation into polyamide and polyester syntheses. The para-amino group enhances reactivity in condensation polymerization, while the dimethyl ester moieties offer stability under standard handling conditions. This compound serves as a robust precursor for functionalized polymers in advanced materials applications.

Application

Dimethyl 2-aminoisophthalate serves as a versatile building block in synthetic organic chemistry, enabling access to functionalized aromatic scaffolds through standard amidation, hydrolysis, and coupling reactions. Its dual ester functionality and ortho-amino group offer controlled reactivity for sequential transformations, facilitating the construction of heterocyclic systems and pharmaceutical intermediates. The compound exhibits good bench stability and ease of purification, supporting reliable use in multi-step syntheses and process development workflows.

Synthesis

  • Route1
    • In-stock
      2-Amino-3-(methoxycarbonyl)benzoic acid|CS-0098121
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      18107-18-1
    • ~%
    • In-stock
      Dimethyl 2-aminoisophthalate|CS-0052739
      57053-02-8

    References

    • ABBOTT LABORATORIES; WOODS, Keith W.; LAI, Chunqiu; PENNING, Thomas D.; MIYASHIRO, Julie Patent: WO2013/12681 A1, 2013 ; Location in patent: Page/Page column 80 ;
  • Route2

    References

    • Meiries, Sebastien; Le Duc, Gaetan; Chartoire, Anthony; Collado, Alba; Speck, Klaus; Arachchige, Kasun S. Athukorala; Slawin, Alexandra M. Z.; Nolan, Steven P. Chemistry - A European Journal, 2013 , vol. 19, # 51 p. 17358 - 17368
  • Route3
    • null|null
      81-20-9
    • ~%
    • In-stock
      Dimethyl 2-aminoisophthalate|CS-0052739
      57053-02-8

    References

    • Meiries, Sebastien; Le Duc, Gaetan; Chartoire, Anthony; Collado, Alba; Speck, Klaus; Arachchige, Kasun S. Athukorala; Slawin, Alexandra M. Z.; Nolan, Steven P. Chemistry - A European Journal, 2013 , vol. 19, # 51 p. 17358 - 17368

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   78.62
  • LogP   0.842
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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