4-(2-methyl-1H-imidazol-1-yl)benzoic acid

Base Information

• Chemical Name: 4-(2-methyl-1H-imidazol-1-yl)benzoic acid
• CAS No.: 101184-11-6
• Molecular Formula: C₁₁H₁₀N₂O₂
• Molecular Weight: 202.213
• DSSTox Substance ID: DTXSID501269139

Synonyms:4-(2-methyl-1H-imidazol-1-yl)benzoic acid;101184-11-6;Benzoic acid, 4-(2-methyl-1H-imidazol-1-yl)-;4-(2-methyl-1H-imidazol-1-yl)-Benzoic acid;4-(2-METHYLIMIDAZOL-1-YL)BENZOIC ACID;YSWG662;SCHEMBL326869;MESQWWFGNOQOMI-UHFFFAOYSA-N;DTXSID501269139;MFCD11156571;AKOS000260029;KS-10879;4-(2-methyl-imidazol-1-yl)-benzoic acid;CS-0110772;F75837

Chemical Property of 4-(2-methyl-1H-imidazol-1-yl)benzoic acid

Chemical Property:

• Melting Point: 300-305 °C (decomp)
• Boiling Point: 424.3±47.0 °C(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Methyl-1H-imidazol-1-yl)benzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=CN1C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(2-methyl-1H-imidazol-1-yl)benzoic acid

There total 3 articles about 4-(2-methyl-1H-imidazol-1-yl)benzoic 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: 93.0%

4-(2-methyl-imidazol-1-yl)-benzoic acid methyl ester (900015-35-2) → 4-(2-methyl-1H-imidazol-1-yl)benzoic acid (101184-11-6)

Guidance literature:

4-(2-methyl-imidazol-1-yl)-benzoic acid methyl ester; With water; sodium hydroxide; In methanol; at 20 ℃; for 20h;

With hydrogenchloride; In methanol; water; at -15 ℃; for 0.0833333h; pH=1 - 2;

Reference yield:

4-(2-methyl-1H-imidazol-1-yl)benzoic acid ethyl ester (108035-44-5) → 4-(2-methyl-1H-imidazol-1-yl)benzoic acid (101184-11-6)

Guidance literature:

With sodium hydroxide; at 90 ℃; Yield given;

DOI:10.1021/jm00391a013

Reference yield:

4-fluorobenzoic acid ethyl ester (451-46-7) → 4-(2-methyl-1H-imidazol-1-yl)benzoic acid (101184-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylsulfoxide / 120 °C

2: 6 M aq. NaOH / 90 °C

With sodium hydroxide; potassium carbonate; In dimethyl sulfoxide;

DOI:10.1021/jm00391a013

upstream raw materials:

4-(2-methyl-1H-imidazol-1-yl)benzoic acid ethyl ester

4-fluorobenzoic acid ethyl ester

4-(2-methyl-imidazol-1-yl)-benzoic acid methyl ester

Downstream raw materials:

4-ethyl-1,3-dihydro-5-[4-(2-methyl-1H-imidazol-1-yl)benzoyl]-2H-imidazol-2-one

N-cyclopropyl-N-(3'-fluoro-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4-(2-methylimidazol-1-yl)benzamide

N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-N-cyclopropyl-4-(2-methylimidazol-1-yl)benzamide

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