Cas no 93787-99-6 (6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)

6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione structure
93787-99-6 structure
Product Name:6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CAS No:93787-99-6
MF:C8H12N2O3
MW:184.192481994629
MDL:MFCD11656357
CID:808417
PubChem ID:251407
Update Time:2024-10-25

6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
    • 2,4(1H,3H)-Pyrimidinedione,6-ethoxy-1,3-dimethyl-
    • 6-ethoxy-1,3-dimethyl-2,4(1H,3H)-Pyrimidinedione
    • 6-ethoxy-1,3-dimethylpyrimidine-2,4-dione
    • 6-ETHOXY-1,3-DIMETHYLURACIL
    • 1,3-dimethyl-6-ethoxyuracil
    • 6-Aethoxy-1,3-dimethyl-1H-pyrimidin-2,4-dion
    • 6-ethoxy-1,3-dimethyl-1H-pyrimidine-2,4-dione
    • 6-EtO-1,3-DMU
    • 6-Ethoxy-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (ACI)
    • Uracil, 6-ethoxy-1,3-dimethyl- (6CI)
    • NSC 71766
    • SB57489
    • MFCD11656357
    • 6-ETHOXY-1,3-DIMETHYL-PYRIMIDINE-2,4-DIONE
    • DB-079714
    • 93787-99-6
    • NSC-71766
    • AKOS022183126
    • SY013174
    • AC-23485
    • AC7363
    • NSC71766
    • CS-0367435
    • DTXSID30290917
    • MDL: MFCD11656357
    • Inchi: 1S/C8H12N2O3/c1-4-13-7-5-6(11)9(2)8(12)10(7)3/h5H,4H2,1-3H3
    • InChI Key: XZVSFCRIFZADMV-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C(=O)N(C)C(OCC)=C1

Computed Properties

  • Exact Mass: 184.08500
  • Monoisotopic Mass: 184.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 273
  • 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: -0.1
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • PSA: 53.23000
  • LogP: -0.51730

6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Pricemore >>

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6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Production Method

Production Method 1

Reaction Conditions
Reference
Phase-transfer catalyzed preparation of 6-alkoxy and 6-thioalkoxy-1,3-dimethyluracils
Gogoi, Mukti; Sandhu, Jagir S.; Baruah, J. N., Indian Journal of Chemistry, 1984, (9), 851-2

Production Method 2

Reaction Conditions
1.1 Solvents: Ethanol ;  0.5 min, 60 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 6, rt
Reference
Synthesis of substituted uracils by the reactions of halouracils with selenium, sulfur, oxygen, and nitrogen nucleophiles under focused microwave irradiation
Fang, Woei-Ping; Cheng, Yuh-Tsyr; Cheng, Yann-Ru; Cherng, Yie-Jia, Tetrahedron, 2005, 61(12), 3107-3113

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Ethanol ;  28 h, reflux
Reference
Chemical models and their mechanistic implications for the transformation of 6-cyanouridine 5'-monophosphate catalyzed by orotidine 5'-monophosphate decarboxylase
Wu, Yuen-Jen; Liao, Chen-Chieh; Jen, Cheng-Hung; Shih, Yu-Chiao; Chien, Tun-Cheng, Chemical Communications (Cambridge, 2010, 46(26), 4821-4823

Production Method 4

Reaction Conditions
Reference
Chemical models and their mechanistic implications for the transformation of 6-cyanouridine 5'-monophosphate catalyzed by orotidine 5'-monophosphate decarboxylase
Chien, Tun-Cheng; Jen, Cheng-Hung; Wu, Yuen-Jen; Liao, Chen-Chieh, Nucleic Acids Symposium Series, 2008, 52(1), 297-298

Production Method 5

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Ethanol ;  24 h, reflux
Reference
Study on the synthesis of 6-alkylaminouridines via the nucleophilic aromatic substitution reaction of 6-cyanouridine derivatives
Lin, Jian-Bang; He, Jhih-Li; Shih, Yu-Chiao; Chien, Tun-Cheng, Tetrahedron Letters, 2011, 52(31), 3969-3972

6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Raw materials

6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Preparation Products

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