1-Fluorohexane

Base Information

• Chemical Name: 1-Fluorohexane
• CAS No.: 373-14-8
• Molecular Formula: C6H13 F
• Molecular Weight: 104.168
• Hs Code.: 2941109900
• European Community (EC) Number: 206-763-8
• DSSTox Substance ID: DTXSID4059910
• Nikkaji Number: J49.399F
• Wikidata: Q57998091
• Mol file: 373-14-8.mol

Synonyms:1-fluorohexane;n-hexyl fluoride

Chemical Property of 1-Fluorohexane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 60.6mmHg at 25°C
• Melting Point: -103°C
• Refractive Index: n20/D 1.3755(lit.)
• Boiling Point: 91.6 °C at 760 mmHg
• Flash Point: 27.2 °C
• PSA: 0.00000
• Density: 0.783 g/cm³
• LogP: 2.53620
• Storage Temp.: Flammables area
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 104.100128577
• Heavy Atom Count: 7
• Complexity: 27.4

Purity/Quality:

97% ^*data from raw suppliers

1-Fluorohexane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,F
• Statements: 10-23/24/25-36/37/38
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCF

Technology Process of 1-Fluorohexane

There total 15 articles about 1-Fluorohexane 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%

C7H13FO2 → 1-fluorohexane (373-14-8) + di-hexyl carbonate (7523-15-1)

Guidance literature:

With HBGF; at 125 ℃; for 1h;

DOI:10.1016/S0040-4039(02)00738-4

Reference yield: 79.0%

hexan-1-ol (111-27-3) → 1-fluorohexane (373-14-8)

Guidance literature:

With C₆H₅CH₂EtCF₂CHFCl; In dichloromethane; at 0 ℃;

DOI:10.1016/S0022-1139(00)85254-9

Reference yield: 71.0%

n-hexyl methanesulfonate (16156-50-6) → 1-fluorohexane (373-14-8)

Guidance literature:

With α-molybdenum trioxide; water; cesium fluoride; In acetonitrile; at 100 ℃; for 1.5h; chemoselective reaction;

DOI:10.1016/j.tetlet.2016.11.099

upstream raw materials:

1-Chlorohexane

1-bromo-hexane

n-hexyl methanesulfonate

4-methylbenzenesulfonic acid n-hexylester

Downstream raw materials:

2-iodohexane

1-Iodohexane

hexane

1-hexyl-4-methyl-benzene

Refernces

Total syntheses of penicillanic acid s,s-dioxide and 6-aminopenicillanic acid using(benzyloxy)nitromethane

10.1021/jo00304a024

The research focuses on the stereocontrolled total syntheses of penicillanic acid S,S-dioxide (10) and 6-aminopenicillanic acid (26) derived from (S)-aspartic acid and (R,R)-tartaric acid, respectively. The study's key steps involve the preparation and cyclization of nitroalkenes 8 and 23, with the reaction of these compounds with tetrabutylammonium fluoride followed by ozone and DBU yielding the bicyclic P-lactams 9 and 24, which are then transformed into the target penicillanic acid derivatives 10 and 26. The research concludes that (benzyloxy)nitromethane is a highly useful reagent in β-lactam chemistry, and the nitroalkene ring closure strategy is efficient and effective for preparing polyfunctional bicyclic β-lactams, with potential general applicability for constructing novel β-lactam systems.