Cas no 78979-62-1 (4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester)

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester structure
78979-62-1 structure
Product Name:4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester
CAS No:78979-62-1
MF:C12H10ClNO3
MW:251.665702342987
MDL:MFCD06738547
CID:553788
PubChem ID:12748126
Update Time:2024-12-09

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester
    • 2-(4-Chloro-phenyl)-oxazole-4-carboxylic acid ethyl ester
    • 2-(4-CHLOROPHENYL)OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
    • ethyl 2-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
    • 2-(2-HYDRAZINO-5-NITRO-BENZENESULFONYLAMINO)-BENZOIC ACID
    • 2-(4-chlorophenyl)-4-oxazolecarboxylic acid ethyl ester
    • ethyl 2-(4-chlorophenyl)oxazole-4-carboxylate
    • SY037221
    • ETHYL2-(4-CHLOROPHENYL)OXAZOLE-4-CARBOXYLATE
    • SCHEMBL20361433
    • DTXSID00508814
    • 78979-62-1
    • AKOS024260719
    • AB27352
    • FT-0746884
    • AC6833
    • MFCD06738547
    • 2-(4-chlorophenyl)oxazole-4-carboxylic acid ethyl ester
    • CS-0455824
    • A839542
    • Ethyl 2-(4-chlorophenyl)-4-oxazolecarboxylate (ACI)
    • DB-075531
    • MDL: MFCD06738547
    • Inchi: 1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
    • InChI Key: DRGDGJIFGJFXKC-UHFFFAOYSA-N
    • SMILES: O=C(C1=COC(C2C=CC(Cl)=CC=2)=N1)OCC

Computed Properties

  • Exact Mass: 251.03500
  • Monoisotopic Mass: 251.0349209g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 267
  • 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: 3.2
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33000
  • LogP: 3.17170

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester 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%

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4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Toluene ,  Water ;  1 h, 90 °C
Reference
Rational Design, Synthesis and Evaluation of Oxazolo[4,5-c]-quinolinone Analogs as Novel Interleukin-33 Inhibitors
Kim, Yujin; Ma, Chao; Park, Seonghu; Shin-, Yujin; Lee, Taeyun; et al, Chemistry - An Asian Journal, 2021, 16(22), 3702-3712

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Catalysts: 18-Crown-6 Solvents: Toluene ;  0 °C; 0 °C → rt; rt → 60 °C; 20 min, 60 °C; 60 °C → rt
1.2 Solvents: Ethanol ;  rt
1.3 Reagents: Triethylamine ,  Triphenylphosphine ,  Iodine Solvents: Dichloromethane ;  5 min, rt
1.4 Solvents: Dichloromethane ;  12 h, rt
Reference
Synthesis of substituted esters of imidazoles, oxazoles, thiazoles, and diethyl pyrazine-2,5-dicarboxylate from a common acyclic precursor employing C-formylation strategy
Khose, Goraksha; Shinde, Shailesh; Panmand, Anil; Kulkarni, Ravibhushan; Munot, Yogesh; et al, Tetrahedron Letters, 2014, 55(16), 2671-2674

Production Method 3

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: 1,2-Bis(diphenylphosphino)ethane ,  Palladium diacetate Solvents: N-Methyl-2-pyrrolidone ;  15 h, 100 °C
Reference
Palladium-Catalyzed Direct Arylations, Alkenylations, and Benzylations through C-H Bond Cleavages with Sulfamates or Phosphates as Electrophiles
Ackermann, Lutz; Barfuesser, Sebastian; Pospech, Jola, Organic Letters, 2010, 12(4), 724-726

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester Raw materials

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-, ethyl ester Preparation Products

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