1-Bromo-5-fluoropentane

Base Information

• Chemical Name: 1-Bromo-5-fluoropentane
• CAS No.: 407-97-6
• Molecular Formula: C5H10BrF
• Molecular Weight: 169.037
• Hs Code.: 2942000000
• European Community (EC) Number: 822-081-9
• DSSTox Substance ID: DTXSID40193682
• Wikidata: Q72456311
• Mol file: 407-97-6.mol

Synonyms:1-Bromo-5-fluoropentane;407-97-6;Pentane, 1-bromo-5-fluoro-;5-Fluoroamyl bromide;C5H10BrF;BRN 1697258;1-bromo-5-fluoro-pentane;MFCD01709395;4-01-00-00313 (Beilstein Handbook Reference);5-Fluoropentyl bromide;fluoropentyl bromide;Pentane,1-bromo-5-fluoro-;C5-H10-Br-F;1-bromanyl-5-fluoranyl-pentane;SCHEMBL1798324;DTXSID40193682;BCP22051;GEO-00451;1-Bromo-5-fluoropentane, AldrichCPR;AKOS005762902;CS-W005161;AS-19295;LS-101548;AM20100088;B5998;FT-0650732;A24614;EN300-206620;A826181

Chemical Property of 1-Bromo-5-fluoropentane

Chemical Property:

• Vapor Pressure: 2.89mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 162 °C at 760 mmHg
• Flash Point: 50.1 °C
• PSA: 0.00000
• Density: 1.303 g/cm³
• LogP: 2.52110
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in methanol (in methanol). Slightly soluble in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 167.99499
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-5-fluoropentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCF)CCBr
• Uses: 1-Bromo-5-fluoropentane was used to prepare 18F-labeled (anilido)piperidine derivatives as ?-opioid receptor imaging agents.

Technology Process of 1-Bromo-5-fluoropentane

There total 2 articles about 1-Bromo-5-fluoropentane 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: 61.0%

5-bromopentan-1-ol (34626-51-2) → 1-bromo-5-fluoropentane (407-97-6)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at -70 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.chembiol.2009.12.012

Reference yield:

1,5-dibromo-pentane (111-24-0) → 1-bromo-5-fluoropentane (407-97-6)

Guidance literature:

With potassium fluoride; diethylene glycol; at 100 ℃;

DOI:10.1021/jo01148a031 DOI:10.1111/j.1365-2621.2001.tb11339.x

Reference yield: 91.0%

1-bromo-5-fluoropentane (407-97-6) + phenyl methyl vinyl chlorosilane (17306-05-7) → (5-fluoropentyl)(methyl)(phenyl)(vinyl)silane

Guidance literature:

With manganese; 2,9-di-sec-butyl-1,10-phenanthroline; nickel dichloride; In N,N-dimethyl-formamide; at 0 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.1c02874

upstream raw materials:

1,5-dibromo-pentane

5-bromopentan-1-ol

Downstream raw materials:

6-Fluorohexanenitrile

5-fluoro-pentylsulfanyl cyanate

7-Fluor-hept-1-in

1-fluoro-5-nitro-pentane

Refernces