1-(Benzyloxy)-3-fluorobenzene

Base Information

• Chemical Name: 1-(Benzyloxy)-3-fluorobenzene
• CAS No.: 72216-35-4
• Molecular Formula: C13H11 F O
• Molecular Weight: 202.228
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10469700
• Nikkaji Number: J2.300.082B
• Wikidata: Q82297529
• Mol file: 72216-35-4.mol

Synonyms:72216-35-4;1-(benzyloxy)-3-fluorobenzene;1-BENZYLOXY-3-FLUOROBENZENE;1-fluoro-3-phenylmethoxybenzene;1-(Benzyloxy)-3-fluorobenzene;3-Fluorobenzyloxybenzene;3-(Benzyloxy)fluorobenzene;1-Benzyloxy-3-fluoro-benzene;2-benzyloxy-4-fluorobenzene;SCHEMBL669237;DTXSID10469700;DIQOSFBOCFVINE-UHFFFAOYSA-N;1-fluoro-3-(phenylmethoxy)-benzene;MFCD06409983;AKOS008913441;BS-24421;CS-0146886;FT-0641398;A837450

Chemical Property of 1-(Benzyloxy)-3-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.00469mmHg at 25°C
• Melting Point: 32-34°C
• Refractive Index: 1.556
• Boiling Point: 185°C
• Flash Point: 68°C
• PSA: 9.23000
• Density: 1.133g/cm³
• LogP: 3.40470
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

1-Benzyloxy-3-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)F

Technology Process of 1-(Benzyloxy)-3-fluorobenzene

There total 17 articles about 1-(Benzyloxy)-3-fluorobenzene 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: 93.0%

C38H31N3O4PdS → 3-fluorophenyl phenylmethyl ether (72216-35-4)

Guidance literature:

With benzo[h]quinolinyl(tetrapyrazolylborate)palladium(IV)fluoride trifluoromethanesulfonate; In acetone; at 85 ℃; for 0.166667h; Product distribution / selectivity;

Reference yield: 92.0%

C38H31N3O3PdS → 3-fluorophenyl phenylmethyl ether (72216-35-4)

Guidance literature:

With benzo[h]quinolinyl(tetrapyrazolylborate)palladium(IV)fluoride trifluoromethanesulfonate; In acetone; at 85 ℃; for 0.166667h; Product distribution / selectivity;

Reference yield: 92.0%

3-(benzyloxy)phenyl bromide (53087-13-1) → (benzyloxy)benzene (946-80-5) + 3-fluorophenyl phenylmethyl ether (72216-35-4)

Guidance literature:

With potassium fluoride; C₉₄H₁₃₄O₄P₂Pd₂; silver fluoride; In cyclohexane; at 110 ℃; for 14h; Sealed tube;

DOI:10.1021/ja5009739

upstream raw materials:

4,4'-dinitrobiphenyl

sodium methylate

benzyl bromide

sodium m-fluoro phenoxide

Downstream raw materials:

3-fluorophenol

4-(benzyloxy)-1-bromo-2-fluorobenzene