Cas no 88777-57-5 (2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl-)

2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl-, is a chlorinated thiophene derivative featuring a dimethyl-substituted carboxamide functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility and potential as an intermediate in the development of bioactive molecules. The presence of the chloro substituent enhances its reactivity, enabling selective modifications, while the dimethylamide moiety contributes to its solubility and stability in various reaction conditions. Its well-defined molecular structure makes it suitable for applications in medicinal chemistry, particularly in the design of heterocyclic compounds with tailored properties. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- structure
88777-57-5 structure
Product Name:2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl-
CAS No:88777-57-5
MF:C7H8ClNOS
MW:189.662519454956
CID:1930702
PubChem ID:20483679
Update Time:2025-10-13

2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl-
    • 5-Chloro-N,N-dimethyl-2-thiophenecarboxamide (ACI)
    • AKOS008933441
    • Z32014476
    • SCHEMBL11201725
    • 5-chloro-N,N-dimethylthiophene-2-carboxamide
    • E81959
    • CS-0158665
    • 88777-57-5
    • Inchi: 1S/C7H8ClNOS/c1-9(2)7(10)5-3-4-6(8)11-5/h3-4H,1-2H3
    • InChI Key: CDISMUAEFLKTDV-UHFFFAOYSA-N
    • SMILES: O=C(N(C)C)C1=CC=C(Cl)S1

Computed Properties

  • Exact Mass: 189.0015127g/mol
  • Monoisotopic Mass: 189.0015127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 2.4
  • Topological Polar Surface Area: 48.6?2

2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- Pricemore >>

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2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride Catalysts: Dimethylformamide ;  3 h, reflux; reflux → rt
1.2 Solvents: Diethyl ether ,  Water ;  0 °C; 1 h, 0 °C
Reference
Catalyst-controlled regiodivergent C-H borylation of multifunctionalized heteroarenes by using iridium complexes
Sasaki, Ikuo; Taguchi, Jumpei; Hiraki, Shotaro; Ito, Hajime; Ishiyama, Tatsuo, Chemistry - A European Journal, 2015, 21(25), 9236-9241

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride Catalysts: Dimethylformamide Solvents: Toluene ;  rt; 2 h, rt → reflux
1.2 Reagents: Sodium hydroxide Solvents: Dichloromethane ,  Water ;  25 °C; 1 h, 25 °C
Reference
Preparation and structural confirmation of the related substances of rivaroxaban
Cai, Zhengyan; Wen, Yingling; Zhang, Xuli; Liu, Zhenren; Hao, Qun, Zhongguo Yiyao Gongye Zazhi, 2014, 45(4), 303-307

2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- Raw materials

2-Thiophenecarboxamide, 5-chloro-N,N-dimethyl- Preparation Products

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