Cas no 80685-22-9 (9-Carboxymethoxymethylguanine)

9-Carboxymethoxymethylguanine structure
9-Carboxymethoxymethylguanine structure
Product Name:9-Carboxymethoxymethylguanine
CAS No:80685-22-9
MF:C8H9N5O4
MW:239.188160657883
CID:724007
Update Time:2024-01-26

9-Carboxymethoxymethylguanine Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-
    • 9-Carboxymethoxymethylguanine
    • 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]acetic acid (ACI)
    • Acetic acid, [(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]- (9CI)
    • [(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]acetic acid
    • Inchi： 1S/C8H9N5O4/c9-8-11-6-5(7(16)12-8)10-2-13(6)3-17-1-4(14)15/h2H,1,3H2,(H,14,15)(H3,9,11,12,16)
    • InChI Key： MICNQLKUSOVNNG-UHFFFAOYSA-N
    • SMILES： O=C1C2N=CN(C=2NC(N)=N1)COCC(O)=O

Computed Properties

  • Exact Mass: 239.065454
  • Monoisotopic Mass: 239.065454
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 371
  • 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: _1.3
  • Topological Polar Surface Area: 132

Experimental Properties

  • Density: 1.92
  • Boiling Point: 696.5°C at 760 mmHg
  • Flash Point: 375°C
  • Refractive Index: 1.801

9-Carboxymethoxymethylguanine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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9-Carboxymethoxymethylguanine Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  10 min, reflux; reflux → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  4 h, rt
1.3 Reagents: Methanesulfonic acid ;  neutralized, rt
Reference
A practical synthesis of 8-hydroxyacyclovir and 9-(carboxymethoxymethyl)guanine, metabolites of acyclovir
Kutsuma, Teruo; et al, Heterocycles, 2005, 65(8), 1967-1973

Production Method 2

Reaction Conditions
1.1 Reagents: Hexamethyldisilazane ,  Ammonium sulfate Solvents: Toluene ;  2 d, reflux; reflux → rt
1.2 Solvents: Toluene ;  20 h, 70 °C
1.3 Reagents: Triethylamine ;  neutralized
1.4 Solvents: Water ;  1 h, reflux
2.1 Solvents: Water ;  10 min, reflux; reflux → rt
2.2 Reagents: Sodium hydroxide Solvents: Water ;  4 h, rt
2.3 Reagents: Methanesulfonic acid ;  neutralized, rt
Reference
A practical synthesis of 8-hydroxyacyclovir and 9-(carboxymethoxymethyl)guanine, metabolites of acyclovir
Kutsuma, Teruo; et al, Heterocycles, 2005, 65(8), 1967-1973

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Toluene ;  15 min, -10 °C
1.2 Reagents: Sodium sulfate ;  12 h, -10 °C; -10 °C → 0 °C; 12 h, 0 °C
2.1 Reagents: Hexamethyldisilazane ,  Ammonium sulfate Solvents: Toluene ;  2 d, reflux; reflux → rt
2.2 Solvents: Toluene ;  20 h, 70 °C
2.3 Reagents: Triethylamine ;  neutralized
2.4 Solvents: Water ;  1 h, reflux
3.1 Solvents: Water ;  10 min, reflux; reflux → rt
3.2 Reagents: Sodium hydroxide Solvents: Water ;  4 h, rt
3.3 Reagents: Methanesulfonic acid ;  neutralized, rt
Reference
A practical synthesis of 8-hydroxyacyclovir and 9-(carboxymethoxymethyl)guanine, metabolites of acyclovir
Kutsuma, Teruo; et al, Heterocycles, 2005, 65(8), 1967-1973

9-Carboxymethoxymethylguanine Raw materials

9-Carboxymethoxymethylguanine Preparation Products

9-Carboxymethoxymethylguanine Related Literature

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