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

Base Information

• Chemical Name: 3-(3,5-Difluorophenyl)propan-1-ol
• CAS No.: 105219-37-2
• Molecular Formula: C9H10 F2 O
• Molecular Weight: 172.175
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID00555085
• Wikidata: Q82436314
• Mol file: 105219-37-2.mol

Synonyms:3-(3,5-difluorophenyl)propan-1-ol;105219-37-2;3-(3,5-DIFLUORO-PHENYL)-PROPAN-1-OL;SCHEMBL4651306;3-(3,5-Difluorophenyl)propanol;DTXSID00555085;ZGNBOGNLNGJULC-UHFFFAOYSA-N;AKOS006291569;SB85186;C77733;EN300-1234575

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

Chemical Property:

• Vapor Pressure: 0.0488mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 225.6°C at 760 mmHg
• Flash Point: 90.2°C
• PSA: 20.23000
• Density: 1.189g/cm³
• LogP: 1.88970
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 172.06997126
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99.90% ^*data from raw suppliers

3-(3,5-DIFLUORO-PHENYL)-PROPAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)CCCO

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

There total 3 articles about 3-(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: 100.0%

3-(3,5-difluorophenyl)propionic acid (84315-24-2) → 3-(3,5-difluorophenyl)propan-1-ol (105219-37-2)

Guidance literature:

With borane; In tetrahydrofuran; methanol;

Reference yield:

1-allyl-3,5-difluorobenzene (79538-22-0) → 3-(3,5-difluorophenyl)propan-1-ol (105219-37-2)

Guidance literature:

1-allyl-3,5-difluorobenzene; With 9-borabicyclo[3.3.1]nonane dimer;

With sodium hydroxide; dihydrogen peroxide;

DOI:10.1016/j.bmcl.2004.01.102

Reference yield:

3,5-difluorophenylmagnesium bromide (62351-47-7) → 3-(3,5-difluorophenyl)propan-1-ol (105219-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 9-BBN

1.2: aq. H₂O₂; NaOH

With 9-borabicyclo[3.3.1]nonane dimer;

DOI:10.1016/j.bmcl.2004.01.102

upstream raw materials:

1-allyl-3,5-difluorobenzene

3,5-difluorophenylmagnesium bromide

3-(3,5-difluorophenyl)propionic acid

Downstream raw materials:

3-(3,5-difluorophenyl)propyl azide

{3-(3,5-difluorophenyl)propyl}zinc bromide

(5S,7aR)-5-(4-(3,5-difluorophenyl)butyl)-1,7a-dihydropyrrolo[1,2-c]oxazol-3(5H)-one

(1aR,1bS,6S,6aS)-6-{4-(3,5-difluorophenyl)butyl}tetrahydrooxireno[2',3':3,4]pyrrolo[1,2-c]oxazol-4(1aH)-one