6-Iodohexanoic acid

Base Information

• Chemical Name: 6-Iodohexanoic acid
• CAS No.: 4224-63-9
• Molecular Formula: C6H11IO2
• Molecular Weight: 242.057
• European Community (EC) Number: 870-001-6
• DSSTox Substance ID: DTXSID30510900
• Nikkaji Number: J1.600.339E
• Wikidata: Q82369449
• Mol file: 4224-63-9.mol

Synonyms:6-iodohexanoic acid;4224-63-9;6-iodo-hexanoic acid;Hexanoic acid, 6-iodo-;starbld0049894;SCHEMBL706385;DTXSID30510900;STHOLCAXALUYCX-UHFFFAOYSA-N;EN300-7225112

Chemical Property of 6-Iodohexanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 241.98038
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCC(=O)O)CCI

Technology Process of 6-Iodohexanoic acid

There total 2 articles about 6-Iodohexanoic acid 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: 32.0%

6-Hydroxyhexanoic acid (1191-25-9) → hexahydro-2H-oxepin-2-one (502-44-3,24980-41-4,80137-66-2) + 6-iodohexanoic acid (4224-63-9)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; triphenylphospine diiodide; In benzene; for 6h;

Reference yield: 24.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 6-Hydroxyhexanoic acid (1191-25-9) + 6-iodohexanoic acid (4224-63-9)

Guidance literature:

With dihydrogen peroxide; iodine; copper(l) chloride; In tetrahydrofuran; water; at 20 ℃; for 8h; Solvent;

DOI:10.1055/s-0036-1591598

Reference yield: 90.0%

6-iodohexanoic acid (4224-63-9) + diphenyl sulfide (139-66-2) → C18H21O2S(1+)*BF4(1-)

Guidance literature:

With silver tetrafluoroborate; for 72h; Ambient temperature;

upstream raw materials:

6-Hydroxyhexanoic acid

cyclohexanone

Downstream raw materials:

6-iodohexanoyl chloride

5-hexenoic acid

9-hydroxy-7-nonynoic acid

(5-carboxypentyl)triphenylphosphonium iodide

Refernces

• 1、 Haynes, Richard K.,Holden, Malcolm. "Formation of Iodides and Esters from Alcohols and Tributyldiiodophosphorane and Diiodotriphenylphosphorane". . p. 517 - 524. Retrieved 2007/10/02.