Heptanol, 7-fluoro-

Base Information

• Chemical Name: Heptanol, 7-fluoro-
• CAS No.: 408-16-2
• Molecular Formula: C7H15FO
• Molecular Weight: 134.1918
• DSSTox Substance ID: DTXSID80193787
• Nikkaji Number: J49.362G
• Wikidata: Q83066512
• Mol file: 408-16-2.mol

Synonyms:7-fluoroheptan-1-ol;408-16-2;HEPTANOL, 7-FLUORO-;7-fluoro-1-heptanol;7-Fluoroheptanol;omega-Fluoroheptanol;BRN 1697749;7-fluoro-heptan-1-ol;4-01-00-01736 (Beilstein Handbook Reference);SCHEMBL1627447;DTXSID80193787;LS-74451

Chemical Property of Heptanol, 7-fluoro-

Chemical Property:

• Vapor Pressure: 0.262mmHg at 25°C
• Boiling Point: 180.6°Cat760mmHg
• Flash Point: 92°C
• Density: 0.912g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 134.110693260
• Heavy Atom Count: 9
• Complexity: 48.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCO)CCCF

Technology Process of Heptanol, 7-fluoro-

There total 6 articles about Heptanol, 7-fluoro- 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:

7-chloro-1-heptanol (55944-70-2) → 7-fluoro-heptan-1-ol (408-16-2)

Guidance literature:

With potassium fluoride; diethylene glycol; at 120 ℃;

DOI:10.1021/jo01113a006

Reference yield:

7-(benzyloxy)heptyl 4-methylbenzenesulfonate (1262964-27-1) → 7-fluoro-heptan-1-ol (408-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrabutyl ammonium fluoride / tetrahydrofuran / 160 °C / Inert atmosphere; Microwave irradiation

2: 5% Pd(II)/C(eggshell); hydrogen; palladium(II) hydroxide / tetrahydrofuran / 2 h / Inert atmosphere

With 5% Pd(II)/C(eggshell); tetrabutyl ammonium fluoride; hydrogen; palladium(II) hydroxide; In tetrahydrofuran;

DOI:10.1139/V10-149

Reference yield:

((7-fluoroheptyloxy)methyl)benzene (1262964-30-6) → 7-fluoro-heptan-1-ol (408-16-2)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; palladium(II) hydroxide; In tetrahydrofuran; for 2h; Inert atmosphere;

DOI:10.1139/V10-149

upstream raw materials:

7-chloro-1-heptanol

methyl 7-fluoroenanthate

7-(benzyloxy)heptyl 4-methylbenzenesulfonate

((7-fluoroheptyloxy)methyl)benzene

Downstream raw materials:

1-bromo-7-fluoroheptane