1-(3,5-Difluorophenyl)propan-1-ol

Base Information

• Chemical Name: 1-(3,5-Difluorophenyl)propan-1-ol
• CAS No.: 878571-98-3
• Molecular Formula: C₉H₁₀F₂O
• Molecular Weight: 172.175
• European Community (EC) Number: 642-877-8
• DSSTox Substance ID: DTXSID50437882
• Mol file: 878571-98-3.mol

Synonyms:1-(3,5-difluorophenyl)propan-1-ol;878571-98-3;575433-45-3;1-(3,5-Difluorophenyl)propanol;3,5-Difluoro-alpha-ethylbenzyl alcohol;SCHEMBL4651304;DTXSID50437882;MFCD06797344;AKOS010913823;1-(3,5-Difluorophenyl)propanol,95%;SB85170;N12170;A862386

Chemical Property of 1-(3,5-Difluorophenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.128mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 208.4°C at 760 mmHg
• Flash Point: 79.8°C
• PSA: 20.23000
• Density: 1.183g/cm³
• LogP: 2.40820
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.06997126
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

1-(3,5-Difluorophenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=CC(=C1)F)F)O

Technology Process of 1-(3,5-Difluorophenyl)propan-1-ol

There total 4 articles about 1-(3,5-Difluorophenyl)propan-1-ol 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: 91.0%

1-(3,5-difluorophenyl)-propan-1-one (135306-45-5) → 1-(3,5-difluorophenyl)propan-1-ol (878571-98-3,575433-45-3)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 5h;

Reference yield:

3,5-difluorobenzoic acid (455-40-3) → 1-(3,5-difluorophenyl)propan-1-ol (878571-98-3,575433-45-3)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / 5 h / Reflux

2: pyridine / dichloromethane / 12 h / 20 °C

3: tetrahydrofuran / 2 h / 0 - 20 °C

4: sodium tetrahydroborate; methanol / 5 h / 0 - 20 °C

With pyridine; methanol; sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; dichloromethane;

Reference yield:

3,5-difluorobenzoyl chloride (129714-97-2) → 1-(3,5-difluorophenyl)propan-1-ol (878571-98-3,575433-45-3)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / dichloromethane / 12 h / 20 °C

2: tetrahydrofuran / 2 h / 0 - 20 °C

3: sodium tetrahydroborate; methanol / 5 h / 0 - 20 °C

With pyridine; methanol; sodium tetrahydroborate; In tetrahydrofuran; dichloromethane;

upstream raw materials:

3,5-difluorobenzoic acid

3,5-difluorobenzoyl chloride

3,5-difluoro-N-methoxy-N-methylbenzamide

1-(3,5-difluorophenyl)-propan-1-one

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