4-(1H-imidazol-2-yl)benzoic Acid

Base Information

• Chemical Name: 4-(1H-imidazol-2-yl)benzoic Acid
• CAS No.: 108035-45-6
• Molecular Formula: C10H8 N2 O2
• Molecular Weight: 188.186
• Hs Code.: 2933299090
• European Community (EC) Number: 869-333-4
• DSSTox Substance ID: DTXSID20363088
• Wikidata: Q72482366
• ChEMBL ID: CHEMBL1491035
• Mol file: 108035-45-6.mol

Synonyms:4-(1H-imidazol-2-yl)benzoic Acid;108035-45-6;4-(1h-Imidazol-2-yl)-benzoic acid;4-(2-Imidazolyl)benzoic Acid;BENZOIC ACID, 4-(1H-IMIDAZOL-2-YL)-;MFCD00456057;4-(2-IMIDAZOLYL)-BENZOIC ACID;Oprea1_834907;YSWG083;MLS000735998;SCHEMBL1060312;4-(Imidazol-2-yl)benzoic acid;CHEMBL1491035;DTXSID20363088;HMS2651E09;4-(1H-imidazol-2-yl)benzoicAcid;AMY20302;CS-D0470;AKOS004117837;4G-322S;AB06030;SMR000338548;SY001456;4-(1H-imidazol-2-yl)benzenecarboxylic acid;BB 0260589;FT-0692285;EN300-196266;A895368;J-400376;F2135-1035

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

Chemical Property:

• Vapor Pressure: 1.08E-09mmHg at 25°C
• Melting Point: >350 °C(Solv: N,N-dimethylformamide (68-12-2))
• Refractive Index: 1.644
• Boiling Point: 471.5°C at 760 mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 239°C
• PSA: 65.98000
• Density: 1.355g/cm³
• LogP: 1.77490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(1H-Imidazol-2-yl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC=CN2)C(=O)O
• Uses: 4-(1H-Imidazol-2-yl)benzoic acid

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

There total 1 articles about 4-(1H-imidazol-2-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: 83.0%

Glyoxal (131543-46-9,107-22-2) + 4-Carboxybenzaldehyde (619-66-9) → 4-(1H-Imidazol-2-yl)-benzoic acid (108035-45-6)

Guidance literature:

With hydrogenchloride; In ammonium hydroxide; water;

Reference yield: 84.0%

4-(1H-Imidazol-2-yl)-benzoic acid (108035-45-6) → (4-(1H-imidazol-2-yl)phenyl)methanol (1022158-41-3)

Guidance literature:

4-(1H-Imidazol-2-yl)-benzoic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 - 20 ℃;

With methanol; In tetrahydrofuran;

Reference yield: 61.0%

(1R,2S)-2-{[(3aR,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexaneamine hydrochloride + 4-(1H-Imidazol-2-yl)-benzoic acid (108035-45-6) → 4-(1H-imidazol-2-yl)-N-((1R,2S)-2-{[(3aR,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)benzamide

Guidance literature:

With diethyl cyanophosphonate; triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

upstream raw materials:

Glyoxal

4-Carboxybenzaldehyde

Downstream raw materials:

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

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

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

N-<2-(diethylamino)ethyl>-4-(1H-imidazol-2-yl)benzamide

Refernces

• 1、 -. "Inhibitors of histone deacetylase". . . Retrieved 2008/06/13.
• 2、 -. "Inhibitors of histone deacetylase". . . Retrieved 2008/06/13.