3-Fluorobenzyloxybenzene

Base Information

• Chemical Name: 3-Fluorobenzyloxybenzene
• CAS No.: 19962-21-1
• Molecular Formula: C13H11FO
• Molecular Weight: 202
• Hs Code.: 2909309090
• European Community (EC) Number: 674-112-9
• DSSTox Substance ID: DTXSID40375401
• Wikidata: Q82163933
• ChEMBL ID: CHEMBL3094315
• Mol file: 19962-21-1.mol

Synonyms:3-Fluorobenzyloxybenzene;19962-21-1;1-fluoro-3-(phenoxymethyl)benzene;[(3-fluorophenyl)methoxy]benzene;ST51042142;CHEMBL3094315;SCHEMBL11959694;DTXSID40375401;AKOS008913218;FS-4306

Chemical Property of 3-Fluorobenzyloxybenzene

Chemical Property:

• Boiling Point: 285.9±15.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.133±0.06 g/cm3(Predicted)
• LogP: 3.40470
• XLogP3: 3.9
• 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:

98% ^*data from raw suppliers

3-Fluorobenzyloxybenzene 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)OCC2=CC(=CC=C2)F

Technology Process of 3-Fluorobenzyloxybenzene

There total 3 articles about 3-Fluorobenzyloxybenzene 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: 99.0%

C14H11F3O4S (1195931-70-4) → 1-fluoro-3-(phenoxymethyl)benzene (19962-21-1)

Guidance literature:

With [COD(Pd-AlPhos)₂]; cesium fluoride; In cyclohexane; at 90 ℃; for 24h; regioselective reaction; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/jacs.5b09308

Reference yield:

C14H11F3O4S (1195931-70-4) → 1-fluoro-3-(phenoxymethyl)benzene (19962-21-1) + 1-fluoro-4-(phenoxymethyl)benzene (19962-26-6)

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; t-BuBrettPhos; cesium fluoride; In toluene; at 110 ℃; for 12h;

DOI:10.1126/science.1178239

Reference yield:

→ 1-fluoro-3-(phenoxymethyl)benzene (19962-21-1)

Guidance literature:

Phenol, subst. Benzylhalide (K2CO3);

DOI:10.1002/oms.1210021107

upstream raw materials:

C₁₄H₁₁F₃O₄S

Downstream raw materials:

3-fluorobenzoic acid phenyl ester

Refernces

• 1、 Watson, Donald A.,Su, Mingjuan,Teverovskiy, Georgiy,Zhang, Yong,Garcia-Fortanet, Jorge,Kinzel, Tom,Buchwaldf, Stephen L.. "Formation of arf from lpdar(f): catalytic conversion of aryl triflates to aryl fluorides". scheme or table. p. 1661 - 1664. Retrieved 2010/06/16.