1-Benzyloxy-2-fluoro-benzene

Base Information

• Chemical Name: 1-Benzyloxy-2-fluoro-benzene
• CAS No.: 368-21-8
• Molecular Formula: C13H11FO
• Molecular Weight: 202.228
• Hs Code.: 2917190090
• NSC Number: 89803
• DSSTox Substance ID: DTXSID40293479
• Nikkaji Number: J2.002.052K
• Wikidata: Q82032227
• Mol file: 368-21-8.mol

Synonyms:1-(Benzyloxy)-2-fluorobenzene;368-21-8;1-Benzyloxy-2-fluoro-benzene;1-fluoro-2-phenylmethoxybenzene;NSC89803;1-benzyloxy-2-fluorobenzene;NCIOpen2_006163;SCHEMBL4267531;DTXSID40293479;MFCD09032646;NSC-89803;AKOS008913019;DS-7034;AC-20993;CS-0156163;C74898

Chemical Property of 1-Benzyloxy-2-fluoro-benzene

Chemical Property:

• Vapor Pressure: 0.00251mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 296.6 °C at 760 mmHg
• Flash Point: 112.4 °C
• PSA: 9.23000
• Density: 1.133 g/cm³
• LogP: 3.40470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 202.079393132
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

1-(Benzyloxy)-2-fluorobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2F

Technology Process of 1-Benzyloxy-2-fluoro-benzene

There total 5 articles about 1-Benzyloxy-2-fluoro-benzene 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: 97.0%

ortho-difluorobenzene (367-11-3) + benzyl alcohol (100-51-6,185532-71-2) → 2-fluorophenyl phenylmethyl ether (368-21-8)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; sodium hydride; at 100 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.06.029

Reference yield:

potassium (4-(benzyloxy)phenyl)trifluoroborate → 4-fluorophenyl phenylmethyl ether (370-78-5) + 2-fluorophenyl phenylmethyl ether (368-21-8)

Guidance literature:

With iron(III) chloride; potassium fluoride; Selectfluor; In ethyl acetate; at 55 ℃; Overall yield = 65 %Spectr.;

DOI:10.1055/s-0034-1379942

Reference yield:

2-fluorophenol (367-12-4) + benzyl bromide (100-39-0) → 2-fluorophenyl phenylmethyl ether (368-21-8)

Guidance literature:

2-fluorophenol; With sodium hydride; In tetrahydrofuran; for 0.0833333h;

benzyl bromide; With tetra-(n-butyl)ammonium iodide; at 40 ℃; for 0.5h;

DOI:10.1002/ejoc.201501453

upstream raw materials:

ortho-difluorobenzene

benzyl alcohol

2-benzyloxyphenylboronic acid

2-fluorophenol

Downstream raw materials:

1-benzyloxy-4-bromo-2-fluorobenzene

4-(benzyloxy)-1H-indazole

7-benzyloxyindazole

Refernces

• 1、 -. "List fluoro Radicamine compounds and their use and preparation method". Paragraph 0076-0078. . Retrieved 2017/12/02.
• 2、 Dubbaka, Srinivas Reddy,Gadde, Satyanarayana,Narreddula, Venkateswara Reddy. "Synthesis of aryl fluorides from potassium aryltrifluoroborates and selectfluor mediated by iron(III) chloride". . p. 854 - 860. Retrieved 2015/03/14.