(5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol

Base Information

• Chemical Name: (5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol
• CAS No.: 39811-07-9
• Molecular Formula: C₈H₇FN₂O
• Molecular Weight: 166.155
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00587982
• Wikidata: Q72479984
• Mol file: 39811-07-9.mol

Synonyms:39811-07-9;(5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol;(6-fluoro-1H-benzimidazol-2-yl)methanol;(5-fluoro-1H-benzimidazol-2-yl)methanol;(6-fluoro-1H-benzo[d]imidazol-2-yl)methanol;6-Fluoro-1H-Benzimidazole-2-methanol;(5-fluoro-1H-1,3-benzodiazol-2-yl)methanol;1H-Benzimidazole-2-methanol,5-fluoro-(9CI);SCHEMBL5774011;DTXSID00587982;MFCD09263497;STK787541;AKOS000275050;AKOS005622346;MCULE-5699659208;1H-Benzimidazole-2-methanol,6-fluoro-;AS-65351;DB-004000;2-(Hydroxymethyl)-5-fluoro-1H-benzimidazole;CS-0097344;(6-fluoro-1H-1,3-benzodiazol-2-yl)methanol;A18732;D75880;(5-Fluoro-1H-benzimidazol-2-yl)methanol, AldrichCPR;F2101-0139

Chemical Property of (5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Refractive Index: 1.686
• Boiling Point: 416.1 °C at 760 mmHg
• PKA: 10.28±0.10(Predicted)
• Flash Point: 205.5 °C
• PSA: 48.91000
• Density: 1.468 g/cm³
• LogP: 1.19430
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.05424101
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

(5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)NC(=N2)CO

Technology Process of (5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol

There total 2 articles about (5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol 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: 71.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + C6H12O6 → 5-fluoro-1H-benzoimidazole (1977-72-6) + (5-fluoro-1H-benzimidazole-2-yl)methanol (39811-07-9)

Guidance literature:

With di-tert-butyl peroxide; boron trifluoride diethyl etherate; In decane; acetonitrile; at 90 ℃; for 1h; Green chemistry;

DOI:10.1002/asia.202100972

Reference yield: 70.0%

glycolic Acid (79-14-1) + 4-fluoro-1,2-phenylenediamine (367-31-7) → (5-fluoro-1H-benzimidazole-2-yl)methanol (39811-07-9)

Guidance literature:

With hydrogenchloride; In water; for 8h; Reflux;

DOI:10.3390/molecules200815206

Reference yield: 80.0%

(5-fluoro-1H-benzimidazole-2-yl)methanol (39811-07-9) → 2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole (156144-42-2)

Guidance literature:

With thionyl chloride; In dichloromethane; at 10 ℃; for 5h;

DOI:10.3390/molecules200815206

upstream raw materials:

glycolic Acid

4-fluoro-1,2-phenylenediamine

Downstream raw materials:

2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole

5-fluoro-1H-benzimidazole-2-carboxylic acid