Cas no 63746-12-3 (Dimethyl 4-aminoisophthalate)

Dimethyl 4-aminoisophthalate is an important intermediate in organic synthesis, particularly in the production of pharmaceuticals, dyes, and specialty polymers. This compound features an amino group and two ester functionalities on an aromatic ring, offering versatile reactivity for further chemical modifications. Its high purity and stability make it suitable for precise synthetic applications, including coupling reactions and polymerizations. The ester groups provide sites for hydrolysis or transesterification, while the amino group enables functionalization through acylation or alkylation. Dimethyl 4-aminoisophthalate is valued for its consistent performance in controlled reactions, contributing to the synthesis of complex molecules with defined structural properties. Its compatibility with various solvents and reagents enhances its utility in multi-step synthetic routes.
Dimethyl 4-aminoisophthalate structure
Dimethyl 4-aminoisophthalate structure
Product Name:Dimethyl 4-aminoisophthalate
CAS No:63746-12-3
MF:C10H11NO4
MW:209.198642969131
MDL:MFCD22480968
CID:1011754
PubChem ID:11095854
Update Time:2025-07-02

Dimethyl 4-aminoisophthalate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 4-aminobenzene-1,3-dioate
    • dimethyl 4-aminobenzene-1,3-dicarboxylate
    • Dimethyl 4-aminoisophthalate
    • 4-Amino-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
    • 4-aminoisophthalic acid dimethyl ester
    • 1,3-dimethyl 4-aminobenzene-1,3-dicarboxylate
    • dimethyl-4-aminoisophthalate
    • Dimethyl-4-amino-isophthalate
    • Dimethyl- 4-amino-isophthalate
    • QWENMFNFBJHLTE-UHFFFAOYSA-N
    • 1,3-Benzenedicarboxylic acid, 4-amino-, 1,3-dimethyl ester
    • BCP21986
    • OR16406
    • A868043
    • CS-0061822
    • AKOS002020018
    • DS-8364
    • MFCD12674801
    • AB9123
    • DTXSID00455051
    • Dimethyl4-aminoisophthalate
    • 63746-12-3
    • 1,3-Benzenedicarboxylic acid, 4-amino-, dimethyl ester
    • SY105455
    • SB78490
    • EN300-1270252
    • DB-351204
    • SCHEMBL2912873
    • CCG-185485
    • MDL: MFCD22480968
    • Inchi: 1S/C10H11NO4/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5H,11H2,1-2H3
    • InChI Key: QWENMFNFBJHLTE-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C(=O)OC)C=CC=1N)=O

Computed Properties

  • Exact Mass: 209.06883
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 78.6

Experimental Properties

  • Density: 1.248
  • Melting Point: 120-123 oC
  • Boiling Point: 352 oC
  • Flash Point: 178 oC
  • PSA: 78.62

Dimethyl 4-aminoisophthalate Pricemore >>

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