3-Iodopentane

Base Information

• Chemical Name: 3-Iodopentane
• CAS No.: 1809-05-8
• Molecular Formula: C5H11I
• Molecular Weight: 198.047
• Hs Code.: 2903399090
• European Community (EC) Number: 217-313-5
• DSSTox Substance ID: DTXSID80171025
• Nikkaji Number: J199.632K
• Wikidata: Q83041063
• ChEMBL ID: CHEMBL177307
• Mol file: 1809-05-8.mol

Synonyms:3-Iodopentane;1809-05-8;Pentane, 3-iodo-;EINECS 217-313-5;3-Jodpentan;3-Iodo-pentane;CHEMBL177307;SCHEMBL1040739;DTXSID80171025;AMINO-PYRROL-2-YL-ACETICACID;AKOS006283296;FT-0601896;EN300-174910

Chemical Property of 3-Iodopentane

Chemical Property:

• Vapor Pressure: 5.82mmHg at 25°C
• Melting Point: -85.6°C (estimate)
• Refractive Index: 1.497
• Boiling Point: 146.6 °C at 760 mmHg
• Flash Point: 44.6 °C
• PSA: 0.00000
• Density: 1.52 g/cm³
• LogP: 2.61000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 197.99055
• Heavy Atom Count: 6
• Complexity: 23.1

Purity/Quality:

98%Min ^*data from raw suppliers

3-IODOPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)I

Technology Process of 3-Iodopentane

There total 11 articles about 3-Iodopentane 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: 31.0%

2-pentanol (584-02-1) → 3-pentyl iodide (1809-05-8)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja0389366

Reference yield:

(S)-2-pentanol (26184-62-3) → 2-iodopentane (637-97-8) + 3-pentyl iodide (1809-05-8)

Guidance literature:

With phosphorus; iodine;

DOI:10.1021/ja01591a049

Reference yield:

ethylcyclopropane (1191-96-4) → 3-pentyl iodide (1809-05-8)

Guidance literature:

With hydrogen iodide;

upstream raw materials:

(S)-2-pentanol

2-pentanol

ethylcyclopropane

bis(1-ethylpropyl)phosphonate

Downstream raw materials:

2-Ethylbutanoic acid

(E)-pent-2-ene

3-bromopentane

pentane

Refernces

• 1、 Chouthaiwale, Pandurang V.,Suryavanshi, Gurunath,Sudalai, Arumugam. "NaIO4-KI-NaN3 as a new reagent system for C-H functionalization in hydrocarbons". scheme or table. p. 6401 - 6403. Retrieved 2009/04/06.
• 2、 Montoro, Raul,Wirth, Thomas. "Direct bromination and iodination of non-activated alkanes by hypohalite reagents". . p. 1473 - 1478. Retrieved 2007/10/03.