(3-Fluoro-1,2-phenylene)dimethanol

Base Information

• Chemical Name: (3-Fluoro-1,2-phenylene)dimethanol
• CAS No.: 160485-42-7
• Molecular Formula: C8H9FO2
• Molecular Weight: 156.157
• DSSTox Substance ID: DTXSID30593415
• Nikkaji Number: J615.046B
• Wikidata: Q72479419
• Mol file: 160485-42-7.mol

Synonyms:160485-42-7;(3-FLUORO-1,2-PHENYLENE)DIMETHANOL;1,2-Benzenedimethanol, 3-fluoro-;[3-FLUORO-2-(HYDROXYMETHYL)PHENYL]METHANOL;1,2-Benzenedimethanol,3-fluoro-(9CI);SCHEMBL620083;3-Fluorobenzene-1,2-dimethanol;DTXSID30593415;UAXMLIVNXZKEOV-UHFFFAOYSA-N;SB83999;3-fluoro-1,2-di-(hydroxymethyl)benzene;3-fluoro-1,2-di-(hydroxymethyl) benzene;(2-fluoro-6-hydroxymethyl-phenyl)-methanol;DB-267277

Chemical Property of (3-Fluoro-1,2-phenylene)dimethanol

Chemical Property:

• Boiling Point: 282.779 °C at 760 mmHg
• Flash Point: 124.821 °C
• PSA: 40.46000
• Density: 1.288 g/cm³
• LogP: 0.81030
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.05865769
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98%Min ^*data from raw suppliers

(3-fluoro-1,2-phenylene)dimethanol 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)F)CO)CO

Technology Process of (3-Fluoro-1,2-phenylene)dimethanol

There total 6 articles about (3-Fluoro-1,2-phenylene)dimethanol 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%

3-chlorobenzene-1,2-dicarboxylic acid (27563-65-1) → 3-chloro-1,2-di-(hydroxymethyl)benzene (110706-48-4) + (3-fluoro-1,2-phenylene)dimethanol (160485-42-7)

Guidance literature:

In borane;

Reference yield: 82.0%

2-(ethoxycarbonyl)-6-fluorobenzoic acid (1158357-44-8) → (3-fluoro-1,2-phenylene)dimethanol (160485-42-7)

Guidance literature:

2-(ethoxycarbonyl)-6-fluorobenzoic acid; With sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 3.16667h;

With sodium hydroxide; water; In tetrahydrofuran; toluene; at 0 - 5 ℃; for 0.216667h; Product distribution / selectivity;

Reference yield: 70.0%

3-fluorophthalic acid, dimethyl ester (183448-41-1) → (3-fluoro-1,2-phenylene)dimethanol (160485-42-7)

Guidance literature:

3-fluorophthalic acid, dimethyl ester; With sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; toluene; at 0 - 5 ℃; for 1.58333h;

With sodium hydroxide; water; In tetrahydrofuran; toluene; at 0 - 5 ℃; for 0.0833333h; Product distribution / selectivity;

upstream raw materials:

3-fluorophthalic anhydride

3-chlorobenzene-1,2-dicarboxylic acid

2-(ethoxycarbonyl)-6-fluorobenzoic acid

3-fluorophthalic acid, dimethyl ester

Downstream raw materials:

α,α'-dibromo-3-fluoro-o-xylene

3-fluorobenzene-1,2-dicarbaldehyde

Methanesulfonic Acid 2-fluoro-6-methanesulfonyloxymethyl-benzyl Ester

1,2-bis<(triphenylphosphonio)methyl>-3-fluorobenzene dibromide