Methallyl iodide

Base Information

• Chemical Name: Methallyl iodide
• CAS No.: 3756-30-7
• Molecular Formula: C4H7I
• Molecular Weight: 182.004
• Hs Code.: 2903399090
• European Community (EC) Number: 686-023-2
• DSSTox Substance ID: DTXSID10446778
• Nikkaji Number: J461.283C
• Wikidata: Q82265500
• Mol file: 3756-30-7.mol

Synonyms:Methallyl iodide;3-iodo-2-methylprop-1-ene;3756-30-7;1-Propene, 3-iodo-2-methyl-;2-methylallyliodide;2-Methyl-3-iodo-1-propene;Propene, 3-iodo-2-methyl-;SCHEMBL116540;3-iodo-2-methylprop -1-ene;DTXSID10446778;HVSJHYFLAANPJS-UHFFFAOYSA-N;AKOS006316120;3-Iodo-2-methylpropene, >=97.0% (GC);EN300-211421

Chemical Property of Methallyl iodide

Chemical Property:

• Refractive Index: 1.4834 (estimate)
• Boiling Point: 109.77°C (estimate)
• Flash Point: 8℃
• PSA: 0.00000
• Density: 1.693 g/mL at 20 °C
• LogP: 1.99750
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.95925
• Heavy Atom Count: 5
• Complexity: 38.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Iodo-2-methylpropene ≥97.0% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1098356
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=C)CI
• Uses: 2-Methylallyl Iodide is used as a reactant in the preparation of chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted ureas and thioureas for their use as anticancer agents.

Technology Process of Methallyl iodide

There total 4 articles about Methallyl iodide 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: 62.0%

3-Chloro-2-methylpropene (563-47-3) → 1-iodo-2-methyl-2-propene (3756-30-7)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃;

DOI:10.1021/ja060369+

Reference yield:

2-methylallyl methanesulfonate (142820-20-0) → 1-iodo-2-methyl-2-propene (3756-30-7)

Guidance literature:

With sodium iodide; In tetrahydrofuran;

DOI:10.1021/ja00084a025

Reference yield:

bis(η3-2-methylallyl)nickel → 1-iodo-2-methyl-2-propene (3756-30-7)

Guidance literature:

With iodine;

DOI:10.1021/ja01011a036

upstream raw materials:

3-Chloro-2-methylpropene

2-methylallyl methanesulfonate

Downstream raw materials:

4,4-Dimethallyl-2-phenyl-2-oxazolin-5-on

6-(2-Methylprop-2-enyl)-4,4,6-trimethylcyclohex-2-enone

4-methyl-1-phenyl-4-pentene-1-one

4-(4-acetamidophenylmercapto)-3-(2-methylallylamino)-5-sulfamoylbenzoic acid

Refernces

• 1、 McDowell et al.. "-". . p. 345,351. Retrieved 1956.
• 2、 Smith III, Amos B.,Mesaros, Eugen F.,Meyer, Emmanuel A.. "Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy". . p. 5292 - 5299. Retrieved 2007/10/03.
• 3、 Bunce,Herron,Johnson,Kotturi. "Diastereoselective synthesis of substituted tetrahydroquinoline-4-carboxylic esters by a tandem reduction-reductive amination reaction". . p. 2822 - 2827. Retrieved 2007/10/03.