Cas no 89499-44-5 (Methyl 4-amino-5-chlorothiophene-2-carboxylate)

Methyl 4-amino-5-chlorothiophene-2-carboxylate is a heterocyclic compound featuring a thiophene core substituted with an amino group at the 4-position, a chlorine atom at the 5-position, and a carboxylate ester at the 2-position. This structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both amino and ester functionalities enhances its reactivity, enabling further derivatization. Its stability under standard conditions and high purity make it suitable for precise synthetic applications. The compound is commonly utilized in the preparation of biologically active molecules, including potential therapeutic agents, due to its versatile reactivity profile.
Methyl 4-amino-5-chlorothiophene-2-carboxylate structure
89499-44-5 structure
Product Name:Methyl 4-amino-5-chlorothiophene-2-carboxylate
CAS No:89499-44-5
MF:C6H6ClNO2S
MW:191.635339260101
MDL:MFCD00508459
CID:711826
Update Time:2025-05-27

Methyl 4-amino-5-chlorothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-amino-5-chlorothiophene-2-carboxylate
    • 2-Thiophenecarboxylicacid, 4-amino-5-chloro-, methyl ester
    • 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
    • Methyl 4-amino-5-chloro-2-thiophenecarboxylate (ACI)
    • MDL: MFCD00508459
    • Inchi: 1S/C6H6ClNO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,8H2,1H3
    • InChI Key: RUAIJHHRCIHFEV-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=C(C(=O)OC)S1)N

Computed Properties

  • Exact Mass: 190.98100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 167
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1

Experimental Properties

  • PSA: 80.56000
  • LogP: 2.35150

Methyl 4-amino-5-chlorothiophene-2-carboxylate Security Information

Methyl 4-amino-5-chlorothiophene-2-carboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 4-amino-5-chlorothiophene-2-carboxylate Pricemore >>

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Methyl 4-amino-5-chlorothiophene-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water
Reference
Synthetic Strategies for Thienopyrrolidinones as ways to make Modified Thiolutin
Susnik, Markus Peter, 2006, , ,

Production Method 2

Reaction Conditions
Reference
Reductive acetylation of nitrocarboxylic acids or esters of the thiophene and furan series
Goldfarb, Ya. L.; Bulgakova, V. N.; Fabrichnyi, B. P., Khimiya Geterotsiklicheskikh Soedinenii, 1983, (12), 1626-9

Methyl 4-amino-5-chlorothiophene-2-carboxylate Raw materials

Methyl 4-amino-5-chlorothiophene-2-carboxylate Preparation Products

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