Cas no 82032-43-7 (Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate)

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate is a versatile heterocyclic compound featuring both a hydroxymethyl and a carboxylate ester functional group on an imidazole core. This structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules. The hydroxymethyl group offers a reactive site for further derivatization, while the ester moiety provides flexibility for hydrolysis or transesterification. Its imidazole ring is conducive to coordination chemistry and metal-binding applications. The compound’s stability under standard conditions and compatibility with common solvents enhance its utility in multistep synthetic routes. Its well-defined reactivity profile ensures reproducibility in research and industrial applications.
Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate structure
82032-43-7 structure
Product Name:Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate
CAS No:82032-43-7
MF:C6H8N2O3
MW:156.139321327209
MDL:MFCD00191520
CID:822848
PubChem ID:87571198
Update Time:2025-05-27

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate
    • 5-(HYDROXYMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
    • 5-Hydroxymethyl-1H-Imidazole-4-Carboxylic Acid Methyl Ester
    • Methyl 5-hydroxymethyl-4-imidazolecarboxylate
    • RRNBWPNDHRAYBV-UHFFFAOYSA-N
    • KM2102
    • FCH917878
    • 2698AC
    • OR322726
    • AX8101299
    • ST24033254
    • methyl 5-hydroxymethyl-1H-
    • 1H-Imidazole-4-carboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI)
    • Methyl 4-(hydroxymethyl)-1H-imidazole-5-carboxylate (ACI)
    • Methyl 5-hydroxymethyl-1H-imidazole-4-carboxylate
    • DB-075807
    • CS-0314532
    • DTXSID00332777
    • N12728
    • 82032-43-7
    • H0840
    • SY052651
    • SCHEMBL2393641
    • MFCD00191520
    • AKOS006229385
    • AS-68766
    • Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate, AldrichCPR
    • methyl 4-(hydroxymethyl)-1h-imidazole-5-carboxylate
    • BP-10750
    • Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate #
    • MDL: MFCD00191520
    • Inchi: 1S/C6H8N2O3/c1-11-6(10)5-4(2-9)7-3-8-5/h3,9H,2H2,1H3,(H,7,8)
    • InChI Key: RRNBWPNDHRAYBV-UHFFFAOYSA-N
    • SMILES: O=C(C1=C(CO)N=CN1)OC

Computed Properties

  • Exact Mass: 156.05300
  • Monoisotopic Mass: 156.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: -0.6
  • Topological Polar Surface Area: 75.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.385±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 171-172 oC
  • Boiling Point: 459.1±35.0 °C at 760 mmHg
  • Flash Point: 231.4±25.9 °C
  • Solubility: Dissolution (91 g/l) (25 o C),
  • PSA: 75.21000
  • LogP: -0.31140
  • Solubility: Not determined
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Security Information

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Pricemore >>

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Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Acetic acid
Reference
Synthesis of 4,5-disubstituted imidazoles
Kavadias, Gerry; et al, Canadian Journal of Chemistry, 1982, 60(6), 723-9

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium bromide ,  Sodium borohydride
2.1 Catalysts: Acetic acid
Reference
Synthesis of 4,5-disubstituted imidazoles
Kavadias, Gerry; et al, Canadian Journal of Chemistry, 1982, 60(6), 723-9

Production Method 3

Reaction Conditions
1.1 -
2.1 Reagents: Lithium bromide ,  Sodium borohydride
3.1 Catalysts: Acetic acid
Reference
Synthesis of 4,5-disubstituted imidazoles
Kavadias, Gerry; et al, Canadian Journal of Chemistry, 1982, 60(6), 723-9

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Raw materials

Methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate Preparation Products

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