4-(1h-Imidazol-1-yl)phenol

Base Information

• Chemical Name: 4-(1h-Imidazol-1-yl)phenol
• CAS No.: 10041-02-8
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• Hs Code.: 29332990
• European Community (EC) Number: 233-121-4
• DSSTox Substance ID: DTXSID90143258
• Nikkaji Number: J241.240C
• Wikidata: Q27097440
• Metabolomics Workbench ID: 151360
• ChEMBL ID: CHEMBL275339
• Mol file: 10041-02-8.mol

Synonyms:4-(Imidazol-1-yl)phenol;10041-02-8;4-(1h-imidazol-1-yl)phenol;4-Imidazol-1-yl-phenol;4-(1-Imidazolyl)Phenol;4-imidazol-1-ylphenol;Phenol, 4-(1H-imidazol-1-yl)-;1-(4-Hydroxyphenyl)imidazole;1-(p-Hydroxyphenyl)imidazole;MFCD00005281;EINECS 233-121-4;4‐(1H‐imidazol‐1‐yl)phenol (Compound 1);4m5r;p-(1-imidazolyl)phenol;p-(Imidazol-1-yl)phenol;D0W6VA;4-(1H-imidazol-yl)phenol;4(1H-imidazol-1-yl)phenol;SCHEMBL328792;4-(1H imidazol-1-yl)phenol;CHEMBL275339;AMY3176;DTXSID90143258;BDBM105193;HMS1754H16;4-(Imidazol-1-yl)phenol, 97%;BCP32709;BBL101392;GEO-01578;STL555188;AKOS001058177;CS-W000357;DB08214;FS-1342;HY-W000357;SDCCGMLS-0065818.P001;SY004239;DiEt 5-N-3-mEt-2,4-thiophene2carboxylate;FT-0616793;EN300-07266;A897450;J-640089;J-800092;W-200066;4-(1h-Imidazol-1-yl)phenol;Q27097440;Z56969320;N-(4-Hydroxyphenyl)imidazole;4-(1H-Imidazol-1-yl)phenol

Chemical Property of 4-(1h-Imidazol-1-yl)phenol

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 2.14E-05mmHg at 25°C
• Melting Point: 204-206 °C(lit.)
• Refractive Index: 1.62
• Boiling Point: 350.7 °C at 760 mmHg
• PKA: 9.36±0.26(Predicted)
• Flash Point: 165.9 °C
• PSA: 38.05000
• Density: 1.2 g/cm³
• LogP: 1.57790
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99.5% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)O

Technology Process of 4-(1h-Imidazol-1-yl)phenol

There total 13 articles about 4-(1h-Imidazol-1-yl)phenol 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: 100.0%

1-(4-methoxyphenyl)-1H-imidazole (10040-95-6) → p-imidazo-1-ylphenol (10041-02-8)

Guidance literature:

With hydrogen bromide; for 12h; Heating;

DOI:10.1021/ol050916g

Reference yield: 100.0%

C14H16N2O2 → p-imidazo-1-ylphenol (10041-02-8)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 2h;

DOI:10.1021/ja075651a

Reference yield: 97.0%

1H-imidazole (288-32-4) + 4-bromo-phenol (106-41-2) → p-imidazo-1-ylphenol (10041-02-8)

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; PS[DMVBIM][Pro]; In dimethyl sulfoxide; at 120 ℃; for 60h;

DOI:10.1021/ja073633n

upstream raw materials:

1-(4-methoxyphenyl)-1H-imidazole

1-(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadienyl)imidazole

1H-imidazole

4-bromo-phenol

Downstream raw materials:

1-(4-butoxyphenyl)-1H-imidazole

[6-(4-imidazol-1-yl-phenoxy)-hexyl]-dimethyl-amine

2,2'-biphenyl 4-(imidazol-1-yl)phenyl phosphite

2-<4-(1H-imidazol-1-yl)phenoxy>ethanol

Refernces

• 1、 Easton, Patricia M.,Simmonds, Adrian C.,Rakishev, Askar,Egorov, Alexey M.,Candeias, Luis P.. "Quantitative model of the enhancement of peroxidase-induced luminol luminescence". . p. 6619 - 6624. Retrieved 1996.
• 2、 Agarwal, Sameer,Chaubey, Vipin,Chauhan, Rakesh,Jain, Sarika,Joshi, Vivek M.,Mande, Hemant,Pamidimukkala, Padmaja Sudhakar,Pandey, Bipin,Sasane, Santosh,Shah, Kalpesh,Shah, Shailesh R.,Shukla, Mrigendra,Singh, Kumar K.,Sojitra, Chandrakant,Soman, Shubhangi. "Practical and Efficient Synthesis of 2-Thio-imidazole Derivative - ZY12201: A Potent TGR5 Agonist". . p. 1508 - 1514. Retrieved 2020/11/23.
• 3、 Taheri-Ledari, Reza,Hashemi, Seyed Masoud,Maleki, Ali. "High-performance sono/nano-catalytic system: CTSN/Fe3O4-Cu nanocomposite, a promising heterogeneous catalyst for the synthesis of: N -arylimidazoles". . p. 40348 - 40356. Retrieved 2019/12/25.