2-Phenyl-1H-imidazole-4-carboxylic acid

Base Information

• Chemical Name: 2-Phenyl-1H-imidazole-4-carboxylic acid
• CAS No.: 77498-98-7
• Molecular Formula: C10H10N2O3
• Molecular Weight: 188.186
• Hs Code.: 2933299090
• European Community (EC) Number: 278-701-8
• UNII: HGH57KDY8T
• Nikkaji Number: J309.399I
• Wikidata: Q27097014
• Metabolomics Workbench ID: 150960
• ChEMBL ID: CHEMBL1232889
• Mol file: 77498-98-7.mol

Synonyms:2-Phenyl-1H-imidazole-4-carboxylic acid;77498-98-7;2-phenyl-1H-imidazole-5-carboxylic acid;CHEMBL1232889;2-phenylimidazole-4-carboxylic acid;HGH57KDY8T;EINECS 278-701-8;1H-Imidazole-4-carboxylic acid, 2-phenyl-;2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLICACIDHYDRATE;G14;2-phenyl-3H-imidazole-4-carboxylic Acid;D0XF6C;SCHEMBL1080850;XCAXKZJNJCKTQH-UHFFFAOYSA-N;HMS3604D08;CS-D0591;BDBM50329857;MFCD00233379;STK897779;AKOS005173647;AKOS007930827;CCG-256344;DB07803;NCGC00339780-01;PD005019;BB 0262249;FT-0750548;EN300-81411;C75097;AB01332345-02;A865217;Q27097014;Z969202164

Chemical Property of 2-Phenyl-1H-imidazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.28E-10mmHg at 25°C
• Melting Point: 217 °C
• Refractive Index: 1.644
• Boiling Point: 495.1 °C at 760 mmHg
• PKA: 2.43±0.10(Predicted)
• Flash Point: 253.2 °C
• PSA: 75.21000
• Density: 1.355g/cm³
• LogP: 1.71060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenyl-1H-imidazole-4-carboxylic acid hydrate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O

Technology Process of 2-Phenyl-1H-imidazole-4-carboxylic acid

There total 11 articles about 2-Phenyl-1H-imidazole-4-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: 85.0%

(2-phenyl-1H-imidazol-4-yl)-methanol (43002-54-6) → 2-phenyl-1H-imidazole-4-carboxylic acid (77498-98-7)

Guidance literature:

With iron(III) chloride; nitric acid; at 5 - 140 ℃;

DOI:10.1002/jhet.5570450611

Reference yield:

2-phenyl-4-(trifluoromethyl)-1H-imidazole (33469-36-2) → 2-phenyl-1H-imidazole-4-carboxylic acid (77498-98-7)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 22h;

DOI:10.1016/j.bmcl.2013.11.026

Reference yield:

piperidine (110-89-4) + 2-phenyl-4-(trifluoromethyl)-1H-imidazole (33469-36-2) → 2-phenyl-1H-imidazole-4-carboxylic acid (77498-98-7) + (2-phenyl-1H-imidazol-4-yl)(piperidin-1-yl)methanone (1221277-42-4)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 160 ℃; for 0.0166667h; Microwave irradiation;

DOI:10.1021/ol100507n

upstream raw materials:

2-phenyl-1⁽³⁾H-imidazole-4-carboxylic acid anilide

aniline

2-phenyl-5-(trifluoromethyl)-1H-imidazole

Hippuric Acid

Downstream raw materials:

2-phenylimidazole-4-carboxylic acid chloride

methyl 2-phenyl-1H-imidazole-4-carboxylate

ethyl 2-phenylimidazole-4-carboxylate

2-phenyl-1-(4-pyridyl)-1H-imidazole-4-carboxylic acid ethyl ester

Refernces

• 1、 -. "COMPOUNDS AND USES THEREOF". . . Retrieved 2018/05/17.
• 2、 OMahony, Gavin,Pitts, Andrew K.. "Synthesis of tertiary amides from anionically activated aromatic trifluoromethyl groups". scheme or table. p. 2024 - 2027. Retrieved 2010/06/21.