Cas no 92234-50-9 (methyl 3-methyl-1,2-oxazole-4-carboxylate)

methyl 3-methyl-1,2-oxazole-4-carboxylate structure
92234-50-9 structure
Product Name:methyl 3-methyl-1,2-oxazole-4-carboxylate
CAS No:92234-50-9
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD12032284
CID:800531
PubChem ID:5249569
Update Time:2024-10-26

methyl 3-methyl-1,2-oxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 3-methyl-, methyl ester
    • 4-Isoxazolecarboxylicacid,3-methyl-,methylester(9CI)
    • 2-methoxycarbonyl-3-methylindole
    • 3-Methyl-indol-2-carbonsaeure-methylester
    • 3-methyl-indole-2-carboxylic acid methyl ester
    • 3-methyl-isoxazole-4-carboxylic acid methyl ester
    • methyl 3-methyl-2-indolecarboxylate
    • methyl 3-methylindole-2-carboxylate
    • methyl 3-methylisoxazole-4-carboxylate
    • Methyl 3-methyl-4-isoxazolecarboxylate (ACI)
    • methyl 3-methyl-1,2-oxazole-4-carboxylate
    • EN300-3422416
    • 4-Isoxazolecarboxylic acid, 3-methyl-, methyl ester
    • 3-Methyl-4-isoxazolecarboxylic acid methyl ester
    • AC7275
    • Methyl3-methylisoxazole-4-carboxylate
    • 92234-50-9
    • MFCD12032284
    • BS-33155
    • SY036418
    • MDL: MFCD12032284
    • Inchi: 1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
    • InChI Key: QLWCWMCZEGJNQO-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=NOC=1)OC

Computed Properties

  • Exact Mass: 141.04300
  • Monoisotopic Mass: 141.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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: 0.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33000
  • LogP: 0.76960

methyl 3-methyl-1,2-oxazole-4-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%

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methyl 3-methyl-1,2-oxazole-4-carboxylate Production Method

Production Method 1

Reaction Conditions
Reference
1,3-Dipolar cycloaddition of methyl 3-(1-imidazolyl)acrylate and related compounds
Kashima, Choji; Tsuzuki, Atsushi; Tajima, Tadakuni, Journal of Heterocyclic Chemistry, 1984, 21(1), 201-3

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ;  16 h, 18 °C; 24 h, 18 °C
Reference
Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors
Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; et al, Journal of the Chemical Society, 2002, (12), 2031-2038

methyl 3-methyl-1,2-oxazole-4-carboxylate Raw materials

methyl 3-methyl-1,2-oxazole-4-carboxylate Preparation Products

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