Dimethyl aminoterephthalate - ≥97% , CAS No.5372-81-6

CAS: 5372-81-6 Cat. No.: D170866 Molecular Weight: 209.2 EC Number: 226-364-2

GRADE & PURITY ≥97%

Synonyms

Ethyl 3,4-dimethoxyphenyl acetate | MFCD00008427 | NSC20561 | NSC-20561 | UNII-91SF4E6I9W | Q27271421 | 2-Amino-1,4-benzenedicarboxylic acid, dimethyl ester | 2-Aminodimethyl terephthalate | DTXSID5022225 | NSC 20561 | Trimethylsilylmethylamine | Dimethyl

Storage

Room temperature

Shipped In

Normal

Overview

The tricarbonylchromium complex of dimethyl aminoterephthalate was prepared and studied.

Specifications

Synonyms

Ethyl 3, 4-dimethoxyphenyl acetate | MFCD00008427 | NSC20561 | NSC-20561 | UNII-91SF4E6I9W | Q27271421 | 2-Amino-1, 4-benzenedicarboxylic acid, dimethyl ester | 2-Aminodimethyl terephthalate | DTXSID5022225 | NSC 20561 | Trimethylsilylmethylamine | Dimethyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185717
• Canonical Smiles: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
• IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate
• InChIKey: DSSKDXUDARIMTR-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3
• Isomeric SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
• WGK Germany: 2
• Molecular Weight: 209.2
• Reaxy-Rn: 2808505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2808505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 Phthalate esters
            • Level7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives - Phthalate esters
• Direct Parent: p-Phthalate esters
• Alternative Parents: P-phthalic acid and derivatives Benzoic acid esters Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Dicarboxylic acid or derivatives - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 127.0-137.0°C
• Molecular Weight: 209.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.069 Da
• Monoisotopic Mass: 209.069 Da
• Topological Polar Surface Area: 78.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Chong Chen, Xue Li, Weixin Zou, Hui Wan, Lin Dong, Guofeng Guan.  (2021)  Structural modulation of UiO-66-NH2 metal-organic framework via interligands cross-linking: Cooperative effects of pore diameter and amide group on selective CO2 separation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2021.149547]

2. Yinning Lin, Shuting Li, Huiping Yang, Qian Mo, Siying Lyu, Haikun Luo, Fan Yang, Xinchun Li, Fan Xia.  (2026)  Photoresponsive and Reusable Chiral Metal–Organic Framework Hybrid Nanochannel Membrane for Drug Enantioseparation.  ACS Applied Materials & Interfaces,      [PMID:41614717] [10.1021/acsami.5c20330]

3. Weijian Sun, Kaicheng Yang, Yifan Zhao, Liping Sun, Qingchi Xu, Jian Weng, Jun Xu.  (2026)  Precise modulation of MOF pore structures via functional group dimensions and spatial configuration for membrane separation.  Science Advances,  12  (8):   [PMID:41719401] [10.1126/sciadv.adz7972]