1-(4'-Fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol

Base Information

• Chemical Name: 1-(4'-Fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol
• CAS No.: 335612-71-0
• Molecular Formula: C15H13FO2
• Molecular Weight: 244.265
• DSSTox Substance ID: DTXSID80432845
• Nikkaji Number: J1.797.864K

Synonyms:335612-71-0;1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol;(1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-yl)methanol;SCHEMBL4622856;DTXSID80432845;POHDLHGSZNINFC-UHFFFAOYSA-N;1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-methanol;1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol;1-(4'-Fluorophenyl)-1,3--dihydroisobenzofuran-5-ylmethanol;5-hydroxymethyl-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran

Chemical Property of 1-(4'-Fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.08995782
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2)CO)C(O1)C3=CC=C(C=C3)F

Technology Process of 1-(4'-Fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol

There total 5 articles about 1-(4'-Fluorophenyl)-1,3-dihydroisobenzofuran-5-ylmethanol 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: 88.7%

2,4-bis(1'-ethoxy ethoxymethyl)bromobenzene + 2,6-bis(1'-ethoxyethoxymethyl)bromobenzene + 4-fluorobenzaldehyde (459-57-4) → 5-hydroxymethyl-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran (335612-71-0)

Guidance literature:

With n-butyllithium; phosphoric acid; In tetrahydrofuran; hexane;

Reference yield: 86.0%

2,4-dicarboxy-4'-fluoro-benzophenone (1645-24-5) → 5-hydroxymethyl-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran (335612-71-0)

Guidance literature:

With sodium borohydrid; phosphoric acid; dimethyl sulfate; In tetrahydrofuran; water;

Reference yield: 81.0%

Trimethyl borate (121-43-7,63156-11-6) + 2,4-dicarboxy-4'-fluoro-benzophenone (1645-24-5) → 5-hydroxymethyl-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran (335612-71-0)

Guidance literature:

With sodium hydroxide; sodium borohydrid; sulfuric acid; In tetrahydrofuran;

upstream raw materials:

Trimethyl borate

2,4-dicarboxy-4'-fluoro-benzophenone

2-(4'-fluorobenzoyl)terephthalic acid

4-fluorobenzaldehyde

Downstream raw materials:

1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile

1-(4-fluorophenyl)-1,3-dihydroisobenzofurane-5-formaldehyde

5-bromomethyl-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran

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