Cas no 149771-08-4 (Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate)

Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate is a pyrimidine derivative with versatile applications in organic synthesis and pharmaceutical research. Its key structural features include a methylthio group at the 2-position and dicarboxylate esters at the 4- and 5-positions, making it a valuable intermediate for constructing heterocyclic compounds. The compound exhibits high reactivity in nucleophilic substitution and cyclization reactions, facilitating the synthesis of complex pyrimidine-based scaffolds. Its ester groups provide functional handles for further derivatization, enhancing utility in medicinal chemistry. The methylthio moiety also contributes to its role in sulfur-containing bioactive molecule development. Suitable for controlled reactions, it offers consistent purity and stability under standard laboratory conditions.
Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate structure
149771-08-4 structure
Product Name:Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate
CAS No:149771-08-4
MF:C11H14N2O4S
MW:270.304861545563
MDL:MFCD14585002
CID:1037465
Update Time:2025-06-08

Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 2-(methylthio)pyrimidine-4,5-dicarboxylate
    • 2-(methylthio)-4,5-Pyrimidinedicarboxylic acid 4,5-diethyl ester
    • Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
    • diethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate
    • 4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, diethyl ester
    • NSC165442
    • PubChem18580
    • 7473AA
    • TRA0081168
    • SY007071
    • AX8174078
    • AB0056146
    • Diethyl2-(Methylthio)-4,5-pyrimidinedicarboxylate
    • diethyl 2-methyls
    • Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate
    • MDL： MFCD14585002
    • Inchi： 1S/C11H14N2O4S/c1-4-16-9(14)7-6-12-11(18-3)13-8(7)10(15)17-5-2/h6H,4-5H2,1-3H3
    • InChI Key： RVHLRUKDQWAVPR-UHFFFAOYSA-N
    • SMILES： S(C)C1=NC=C(C(=O)OCC)C(C(=O)OCC)=N1

Computed Properties

  • Exact Mass: 270.06700
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 301
  • Topological Polar Surface Area: 104

Experimental Properties

  • Flash Point: 176.2℃
  • PSA: 103.68000
  • LogP: 1.55190

Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate Pricemore >>

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TRC
D444578-25mg
Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
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 $ 52.00 2023-09-07
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D444578-50mg
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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
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Chemenu
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eNovation Chemicals LLC
K55190-5g
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eNovation Chemicals LLC
D689036-1g
Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
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Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate Production Method

Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate Related Literature

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