Cas no 97602-72-7 (Methyl 2-methyl-1H-imidazole-5-carboxylate)

Methyl 2-methyl-1H-imidazole-5-carboxylate structure
97602-72-7 structure
Product Name:Methyl 2-methyl-1H-imidazole-5-carboxylate
CAS No:97602-72-7
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD06203995
CID:801259
PubChem ID:13432302
Update Time:2024-10-25

Methyl 2-methyl-1H-imidazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxylicacid, 2-methyl-, methyl ester
    • 1H-Imidazole-4-carboxylicacid,2-methyl-,methylester(9CI)
    • methyl 2-methyl-1H-imidazole-5-carboxylate
    • methyl 2-methyl-1H-imidazole-4-carboxylate
    • 2-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
    • 1H-Imidazole-4-carboxylic acid, 2-methyl-, methyl ester
    • WPPRAPIAKXDXIP-UHFFFAOYSA-N
    • methyl 2-methylimidazole-4-carboxylate
    • NE55823
    • AK311834
    • Z1350606456
    • 1H-Imidazole-4-carboxylic acid, 2-methyl-, methyl ester (9CI)
    • Methyl 2-methyl-1H-imidazole-5-carboxylate (ACI)
    • 2-Methylimidazole-4-carboxylic acid methyl ester
    • C77526
    • AKOS011535671
    • CS-0139284
    • 97602-72-7
    • Z969202498
    • methyl2-methyl-1H-imidazole-5-carboxylate
    • XDA60272
    • DTXSID90540622
    • BS-13314
    • EN300-85495
    • MFCD06203995
    • SCHEMBL692975
    • Methyl 2-methyl-1H-imidazole-5-carboxylate
    • MDL: MFCD06203995
    • Inchi: 1S/C6H8N2O2/c1-4-7-3-5(8-4)6(9)10-2/h3H,1-2H3,(H,7,8)
    • InChI Key: WPPRAPIAKXDXIP-UHFFFAOYSA-N
    • SMILES: O=C(C1NC(C)=NC=1)OC

Computed Properties

  • Exact Mass: 140.058577502g/mol
  • Monoisotopic Mass: 140.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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
  • Topological Polar Surface Area: 55
  • XLogP3: 0.6

Methyl 2-methyl-1H-imidazole-5-carboxylate Pricemore >>

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Methyl 2-methyl-1H-imidazole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  > 1 min, rt; rt → reflux; 24 h, reflux
1.2 Reagents: Sulfuric acid ;  reflux; 24 h, reflux; reflux → rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 9, rt
Reference
Preparation of heterocyclyl-butanamide derivatives as Tankyrase inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ;  12 h, 80 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 8
Reference
Preparation of carboxamides as calpain modulators and therapeutic uses thereof
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Solvents: Methanol ;  4 h, reflux
Reference
Imidazotriazine derivatives as PDE10 inhibitors and their preparation
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
Reference
Product class 3: imidazoles
Grimmett, M. R., Science of Synthesis, 2002, 12, 325-528

Production Method 5

Reaction Conditions
1.1 Solvents: Methanol
Reference
Two-step synthesis of imidazoles from activated alkynes
Casey, Michael; Moody, Christopher J.; Rees, Charles W.; Young, Richard G., Journal of the Chemical Society, 1985, (1985), 741-5

Production Method 6

Reaction Conditions
Reference
Preparation of bicyclic heteroaromatic amide compounds and uses thereof
, World Intellectual Property Organization, , ,

Methyl 2-methyl-1H-imidazole-5-carboxylate Raw materials

Methyl 2-methyl-1H-imidazole-5-carboxylate Preparation Products

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