1-Methyl-1H-imidazole-2-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-imidazole-2-carboxylic acid
• CAS No.: 20485-43-2
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 29332900
• European Community (EC) Number: 626-320-6
• DSSTox Substance ID: DTXSID00339660
• Nikkaji Number: J1.473.760J
• Wikidata: Q27144872
• Mol file: 20485-43-2.mol

Synonyms:1-Methyl-1H-imidazole-2-carboxylic acid;20485-43-2;1-methylimidazole-2-carboxylic acid;1H-Imidazole-2-carboxylic acid, 1-methyl-;1-methyl-imidazole-2-carboxylic acid;MFCD01863421;1-METHYL-1H-2-IMIDAZOLECARBOXYLIC ACID;SCHEMBL114011;SCHEMBL17510050;CHEBI:74743;DTXSID00339660;N-methyl-imidazole-2-carboxylic acid;AKOS000122544;AC-3085;CS-W004706;PB21787;PS-3341;Imidazole-2-carboxylic acid, 1-methyl-;AM803482;SY003797;1-Methyl-1H-imidazole-2-carboxylic acid #;Lithium 1-Methyl-1H-imidazole-2-carboxylat;BB 0253147;FT-0608089;M2547;EN300-04016;Q27144872;F2124-0530;1-Methyl-1H-imidazole-2-carboxylic acid, technical grade, 90%

Chemical Property of 1-Methyl-1H-imidazole-2-carboxylic acid

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 3.57E-05mmHg at 25°C
• Melting Point: 104 °C
• Boiling Point: 339.4 °C at 760 mmHg
• PKA: 1.24±0.31(Predicted)
• Flash Point: 159.1 °C
• PSA: 55.12000
• Density: 1.34 g/cm³
• LogP: 0.11830
• Storage Temp.: -15°C
• Sensitive.: Hygroscopic
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-Methylimidazole-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1C(=O)O
• Uses: It is useful for solid phase synthesis of polyamides containing imidazole. 1-Methyl-1H-imidazole-2-carboxylic acid is a useful synthetic intermediate for solid phase synthesis of polyamides containing imidazole

Technology Process of 1-Methyl-1H-imidazole-2-carboxylic acid

There total 2 articles about 1-Methyl-1H-imidazole-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-methyl-1H-imidazole (616-47-7) + n-butyllithium (109-72-8,29786-93-4) → 1-methyl-1H-imidazole-5-carboxylic acid (41806-40-0) + 1-methyl-2-imidazolecarboxylic acid (20485-43-2)

Guidance literature:

anschliessend mit CO₂;

DOI:10.1021/ja01575a027

Reference yield:

1-methyl-1H-imidazole (616-47-7) + n-butyllithium (109-72-8,29786-93-4) + diethyl ether (60-29-7,927820-24-4) → 1-methyl-1H-imidazole-5-carboxylic acid (41806-40-0) + 1-methyl-2-imidazolecarboxylic acid (20485-43-2)

Guidance literature:

anschl. mit festem CO₂;

DOI:10.1021/ja01575a027

Reference yield: 100.0%

1-methyl-2-imidazolecarboxylic acid (20485-43-2) + 2C2HF3O2*C26H36N4O3 + trifluoroacetic acid (76-05-1) → 2C2HF3O2*C31H40N6O4

Guidance literature:

1-methyl-2-imidazolecarboxylic acid; 2C₂HF₃O₂*C₂₆H₃₆N₄O₃; With 4-methyl-morpholine; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

trifluoroacetic acid; In water; acetonitrile; Reversed phase HPLC;

upstream raw materials:

1-methyl-1H-imidazole

n-butyllithium

diethyl ether

Downstream raw materials:

N-<5-<<(3,3-dimethylaminopropyl)amino>carbonyl>-1-methyl-1H-pyrrol-3-yl>-4-<<<1-methyl-1H-imidazol-2-yl>carbonyl>amino>-1-methyl-1H-pyrrole-2-carboxamide

1-methyl-1H-imidazole

1,2-dimethylimidazole

1-methyl-1H-imidazole-2-carboxylic acid chloride