2-Iodohexane

Base Information

• Chemical Name: 2-Iodohexane
• CAS No.: 18589-27-0
• Molecular Formula: C6H13 I
• Molecular Weight: 212.074
• Hs Code.: 2903399090
• European Community (EC) Number: 242-428-2
• DSSTox Substance ID: DTXSID80940011
• Nikkaji Number: J105.180F
• Mol file: 18589-27-0.mol

Synonyms:2-Iodohexane;18589-27-0;Hexane, 2-iodo-;EINECS 242-428-2;SCHEMBL537515;DTXSID80940011;FT-0637718

Chemical Property of 2-Iodohexane

Chemical Property:

• Vapor Pressure: 1.86mmHg at 25°C
• Melting Point: -68.15°C (estimate)
• Refractive Index: 1.4878
• Boiling Point: 171.5°C at 760 mmHg
• Flash Point: 55.1°C
• PSA: 0.00000
• Density: 1.444g/cm³
• LogP: 3.00010
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 212.00620
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

98%Min ^*data from raw suppliers

2-IODO HEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)I

Technology Process of 2-Iodohexane

There total 11 articles about 2-Iodohexane 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: 92.0%

1-hexene (592-41-6,25067-06-5) → 2-iodohexane (18589-27-0)

Guidance literature:

With polymethylhydrosiloxane; iodine; In chloroform; at 20 ℃; for 0.333333h;

DOI:10.1246/cl.2007.800

Reference yield:

hexane (110-54-3) → 2-iodohexane (18589-27-0) + 3-iodohexane (31294-91-4) + 1-Iodohexane (638-45-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; tert-butyl alcohol; at 20 ℃; for 4h; Title compound not separated from byproducts; Irradiation;

DOI:10.1002/1521-3773(20020715)41:14<2556::AID-ANIE2556>3.0.CO;2-C

Reference yield:

1-fluorohexane (373-14-8) → 2-iodohexane (18589-27-0) + 1-Iodohexane (638-45-9)

Guidance literature:

With trimethylsilyl iodide; In dichloromethane; at 25 ℃; for 48h; Yield given. Title compound not separated from byproducts;

DOI:10.1021/jo00331a030

upstream raw materials:

2,5-dimethyltetrahydrofuran

1-hexene

(S)-2-hexanol

1-fluorohexane

Downstream raw materials:

2-methylhexanoic acid

4-methoxymethyl-2-(2-methyl-hexyl)-5-phenyl-4,5-dihydro-oxazole

(+/-)-Ethyl 4-methyloctanoate

2-bromohexane

Refernces

• 1、 Olah, George A.,Narang, Subhash C.,Field, Leslie D.. "Synthetic Methods and Reactions. 103. Preparation of Alkyl Iodides from Alkyl Fluorides and Chlorides with Iodotrimethylsilane or Its in Situ Analogues". . p. 3727 - 3728. Retrieved 1981.
• 2、 -. "PROCESS FOR THE PREPARATION OF N-IODOAMIDES". Paragraph 00291-00292. . Retrieved 2015/05/26.
• 3、 Das, Biswanath,Srinivas, Yallamalla,Holla, Harish,Narender, Ravirala. "An efficient and facile hydroiodination of alkenes and alkynes PI using polymethylhydrosiloxane-iodine system". . p. 800 - 801. Retrieved 2008/02/09.