3-Fluoro-4-methoxyphenethyl alcohol

Base Information

• Chemical Name: 3-Fluoro-4-methoxyphenethyl alcohol
• CAS No.: 404-91-1
• Molecular Formula: C9H11 F O2
• Molecular Weight: 170.184
• Hs Code.: 2909498090
• European Community (EC) Number: 675-183-9
• DSSTox Substance ID: DTXSID60374592
• Wikidata: Q82163203
• Mol file: 404-91-1.mol

Synonyms:3-Fluoro-4-methoxyphenethyl alcohol;404-91-1;2-(3-fluoro-4-methoxyphenyl)ethanol;MFCD06201038;2-(3-fluoro-4-methoxyphenyl)ethan-1-ol;Benzeneethanol, 3-fluoro-4-methoxy-;SCHEMBL1241032;DTXSID60374592;CTZFMMKZSPJHOS-UHFFFAOYSA-N;AC1396;AKOS012090851;2-(3-fluoro-4-methoxyphenyl)-ethanol;FS-1696;AC-29801;SY032777;CS-0150583;4-(2-hydroxy-ethyl)-2-fluoro-1-methoxy-benzene;4-(2-hydroxyethyl)-2-fluoro-1-methoxy-benzene;EN300-1241213;4-(2-hydroxy-ethyl) -2-fluoro-1-methoxy-benzene;A918244

Chemical Property of 3-Fluoro-4-methoxyphenethyl alcohol

Chemical Property:

• Boiling Point: 147-148 °C(Press: 7 Torr)
• PKA: 14.76±0.10(Predicted)
• PSA: 29.46000
• Density: 1.150±0.06 g/cm3(Predicted)
• LogP: 1.36910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.07430775
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-fluoro-4-methoxyphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCO)F

Technology Process of 3-Fluoro-4-methoxyphenethyl alcohol

There total 2 articles about 3-Fluoro-4-methoxyphenethyl alcohol 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: 78.0%

2-(4-fluoro-3-methoxyphenyl)acetic acid (452-14-2) → 2-(3-fluoro-4-methoxyphenyl)ethan-1-ol (404-91-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Darkness;

Reference yield:

oxirane (75-21-8,99932-75-9) → 2-(3-fluoro-4-methoxyphenyl)ethan-1-ol (404-91-1)

Guidance literature:

With benzene; zuletzt bei Siedetemperatur;

DOI:10.1021/ja01209a038

Reference yield: 52.0%

2-(3-fluoro-4-methoxyphenyl)ethan-1-ol (404-91-1) → 2-(3-fluoro-4-methoxyphenyl)acetaldehyde

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere; Darkness;

upstream raw materials:

oxirane

2-(4-fluoro-3-methoxyphenyl)acetic acid

Downstream raw materials:

4-(2-bromo-ethyl)-2-fluoro-anisole

phenyl-carbamic acid-(3-fluoro-4-methoxy-phenethyl ester)

Refernces