2-Iodo-2-methylbutane

Base Information

• Chemical Name: 2-Iodo-2-methylbutane
• CAS No.: 594-38-7
• Molecular Formula: C5H11I
• Molecular Weight: 198.047
• European Community (EC) Number: 209-838-3
• NSC Number: 62081
• DSSTox Substance ID: DTXSID4074720
• Nikkaji Number: J95.702J
• Wikidata: Q82002960
• Mol file: 594-38-7.mol

Synonyms:2-IODO-2-METHYLBUTANE;594-38-7;Butane, 2-iodo-2-methyl-;2-iodo-2-methyl-butane;EINECS 209-838-3;tert-Amyl Iodide;tert.-Amyljodid;NSC62081;2-methyl-2-iodobutane;Butane, 2-iodo-2-methyl;SCHEMBL1038317;DTXSID4074720;MFCD00019029;NSC-62081;AKOS000119848;FT-0632472;EN300-19878

Chemical Property of 2-Iodo-2-methylbutane

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Melting Point: -85.6°C (estimate)
• Refractive Index: 1.4955
• Boiling Point: 126.2°C at 760 mmHg
• Flash Point: 24.8°C
• PSA: 0.00000
• Density: 1.524g/cm³
• LogP: 2.61000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 197.99055
• Heavy Atom Count: 6
• Complexity: 39.2

Purity/Quality:

99% ^*data from raw suppliers

2-IODO-2-METHYL BUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)I

Technology Process of 2-Iodo-2-methylbutane

There total 14 articles about 2-Iodo-2-methylbutane 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: 89.0%

2,2-dimethyl-propanol-1 (75-84-3) → 2-iodo-2-methylbutane (594-38-7)

Guidance literature:

With cerium(III) chloride; sodium iodide; In acetonitrile; for 16h; Heating;

DOI:10.1021/jo991894c

Reference yield: 84.0%

tert-Amyl alcohol (75-85-4) → 2-iodo-2-methylbutane (594-38-7)

Guidance literature:

With hydrogen iodide; lithium iodide; at -10 ℃; for 2h;

DOI:10.1246/bcsj.53.1181

Reference yield:

2-methyl-but-2-ene (513-35-9) → 2-iodo-2-methylbutane (594-38-7)

Guidance literature:

With diethyl ether; hydrogen iodide;

upstream raw materials:

tert-Amyl alcohol

2-methyl-but-2-ene

3-methyl-2-butanol

2-iodo-3-methylbutane

Downstream raw materials:

2-methyl-but-2-ene

acetic acid

methyl iodide

3,3-dimethylpentane

Refernces

• 1、 Maiti, Saikat,Rhlee, Joon Ho. "Reductive Ni-catalysis for stereoselective carboarylation of terminal aryl alkynes". supporting information. p. 11346 - 11349. Retrieved 2021/11/09.
• 2、 Chervin, Stephanie M.,Abada, Paolo,Koreeda, Masato. "Convenient, in situ generation of anhydrous hydrogen iodide for the preparation of α-glycosyl iodides and vicinal lodohydrins and for the catalysis of Ferrier glycosylation". . p. 369 - 372. Retrieved 2007/10/03.