Cas no 3598-22-9 (Methyl 3-(3,4-dihydroxyphenyl)propanoate)

Methyl 3-(3,4-dihydroxyphenyl)propanoate is a phenolic ester derivative with notable applications in organic synthesis and pharmaceutical research. Its structure features a catechol moiety, which contributes to its antioxidant properties and potential as an intermediate in bioactive compound development. The compound exhibits stability under controlled conditions and is soluble in common organic solvents, facilitating its use in various chemical reactions. Its ester functionality allows for further derivatization, making it a versatile building block in medicinal chemistry. The presence of hydroxyl groups enhances its reactivity in oxidative coupling and chelation processes. Suitable for research purposes, it is handled under standard laboratory precautions.
Methyl 3-(3,4-dihydroxyphenyl)propanoate structure
3598-22-9 structure
Product Name:Methyl 3-(3,4-dihydroxyphenyl)propanoate
CAS No:3598-22-9
MF:C10H12O4
MW:196.199883460999
MDL:MFCD02149455
CID:2663894
PubChem ID:579668
Update Time:2025-10-19

Methyl 3-(3,4-dihydroxyphenyl)propanoate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-(3,4-dihydroxyphenyl)propanoate
    • methyl dihydrocaffeate
    • SCHEMBL3274537
    • Methyl 3-(3,4-dihydroxyphenyl)propanoate #
    • G80254
    • BDBM50062150
    • MFCD02149455
    • Hydrocinnamic acid, 3,4-dihydroxy-, methyl ester
    • 3-(3,4-Dihydroxyphenyl)propionic acid methyl ester
    • 3598-22-9
    • CHEMBL3093470
    • DTXSID50342200
    • NTULQOXXTCSEHM-UHFFFAOYSA-N
    • Benzenepropanoic acid, 3,4-dihydroxy-, methyl ester
    • Methyl 3-(3,4-dihydroxyphenyl)propanoate
    • MDL： MFCD02149455
    • Inchi： 1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3
    • InChI Key： NTULQOXXTCSEHM-UHFFFAOYSA-N
    • SMILES： O(C)C(CCC1C=CC(=C(C=1)O)O)=O

Computed Properties

  • Exact Mass: 196.074
  • Monoisotopic Mass: 196.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 193
  • 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: _0.2
  • Topological Polar Surface Area: 66.8?2

Methyl 3-(3,4-dihydroxyphenyl)propanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y0999380-1g
3-(3,4-Dihydroxyphenyl)propionic acid methyl ester
 3598-22-9 95%
1g
 $800 2024-08-02
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1642426-1g
Methyl 3-(3,4-dihydroxyphenyl)propanoate
 3598-22-9 98%
1g
 ￥8547.00 2024-05-16
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1642426-5g
Methyl 3-(3,4-dihydroxyphenyl)propanoate
 3598-22-9 98%
5g
 ￥21357.00 2024-05-16
eNovation Chemicals LLC
Y0999380-5g
3-(3,4-dihydroxyphenyl)propionic acid methyl ester
 3598-22-9 95%
5g
 $1360 2025-02-26
eNovation Chemicals LLC
Y0999380-5g
3-(3,4-dihydroxyphenyl)propionic acid methyl ester
 3598-22-9 95%
5g
 $1360 2025-02-24

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