4-(1H-benzimidazol-2-yl)phenol

Base Information

• Chemical Name: 4-(1H-benzimidazol-2-yl)phenol
• CAS No.: 6504-13-8
• Molecular Formula: C13H10 N2 O
• Molecular Weight: 210.235
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50419805
• Nikkaji Number: J643.109G
• Wikidata: Q107896028,Q82231005
• ChEMBL ID: CHEMBL377740
• Mol file: 6504-13-8.mol

Synonyms:4-(1H-benzimidazol-2-yl)phenol;6504-13-8;4-(1H-benzo[d]imidazol-2-yl)phenol;4-(1H-Benzoimidazol-2-yl)-phenol;4-(1h-1,3-benzodiazol-2-yl)phenol;CHEMBL377740;2-(4-hydroxyphenyl)benzimidazole;2-(4-hydroxyphenyl)-1h-benzimidazole;4-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one;ChemDiv1_024731;Oprea1_131983;Oprea1_850248;SCHEMBL3420365;2-(p-hydroxyphenyl)benzimidazole;HMS657E03;DTXSID50419805;REOGMBVECOGANJ-UHFFFAOYSA-N;AMY14196;BBL033788;BDBM50438841;CCG-20098;MFCD00230532;STK043615;2-(4-hyroxyphenyl)-1H-benzimidazole;AKOS000275528;VS-12278;4-(1H-Benzimidazol-2-yl)phenol x0.2h2o;CS-0110911;EU-0011095;E81355;EN300-241757;A914077;SR-01000489524;SR-01000489524-1;Z50129786

Chemical Property of 4-(1H-benzimidazol-2-yl)phenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.726
• Boiling Point: 462.828°C at 760 mmHg
• Flash Point: 233.71°C
• PSA: 48.65000
• Density: 1.324g/cm³
• LogP: 1.62290
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

4-(1H-Benzimidazol-2-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)O

Technology Process of 4-(1H-benzimidazol-2-yl)phenol

There total 41 articles about 4-(1H-benzimidazol-2-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: 98.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + 1,2-diamino-benzene (95-54-5) → 4-(1H-benzimidazol-2-yl)phenol (6504-13-8)

Guidance literature:

With ISO-PECH polyamine catalyst; In methanol; at 20 ℃; for 0.05h; Green chemistry;

DOI:10.1002/jhet.4046

Reference yield: 95.0%

(4-hydroxyphenyl)methanol (623-05-2) + 1,2-diamino-benzene (95-54-5) → 4-(1H-benzimidazol-2-yl)phenol (6504-13-8)

Guidance literature:

With sodium t-butanolate; In water; at 75 ℃; for 8h; Green chemistry;

DOI:10.1080/00397911.2015.1017053

Reference yield: 90.56%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + 2-nitro-aniline (88-74-4) → 4-(1H-benzimidazol-2-yl)phenol (6504-13-8)

Guidance literature:

With sodium dithionite; In ethanol; water; at 20 - 60 ℃;

DOI:10.2174/1573406415666190206231555

upstream raw materials:

4-Hydroxy-benzaldehyd-(2-amino-pheylimin)

1,2-bis-(4-propoxy-benzoylamino)-benzene

4-cyanophenol

o-phenylenediamine dihydrochloride

Downstream raw materials:

ethyl-p-(2-benzimidazolyl) phenoxyacetate

(2S)-N-{3-(4-[1H-benzo[d]imidazol-2-yl]phenoxy)propoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

N-{3-(4-(1H-benzo[d]imidazol-2-yl-)phenoxy)butoxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal

(2S)-N-{5-(4-(1H-benzo[d]imidazol-2-yl)phenoxy)pentyloxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal