Iodomethyl Acetate

Base Information

• Chemical Name: Iodomethyl Acetate
• CAS No.: 13398-11-3
• Molecular Formula: C3H5IO2
• Molecular Weight: 199.976
• European Community (EC) Number: 834-624-7
• Nikkaji Number: J675.335C
• Mol file: 13398-11-3.mol

Synonyms:Iodomethyl Acetate;13398-11-3;iodomethylacetate;acetoxymethyl iodide;SCHEMBL1042754;NZDJTVSTIFYISQ-UHFFFAOYSA-N;EN300-177679

Chemical Property of Iodomethyl Acetate

Chemical Property:

• Boiling Point: 163.8±23.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.992±0.06 g/cm3(Predicted)
• LogP: 0.94200
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 199.93343
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

iodomethylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCI

Technology Process of Iodomethyl Acetate

There total 5 articles about Iodomethyl Acetate 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: 48.0%

Chloromethyl acetate (625-56-9) → iodomethyl acetate (13398-11-3)

Guidance literature:

With sodium iodide; In acetonitrile; Ambient temperature;

DOI:10.1080/00397919508011821

Reference yield:

1,3,5-Trioxan (110-88-3) + acetyl chloride (75-36-5) → iodomethyl acetate (13398-11-3) + diacetoxymethane (628-51-3,25231-38-3)

Guidance literature:

With sodium iodide; In dichloromethane; Title compound not separated from byproducts;

DOI:10.1016/j.tetlet.2006.09.118

Reference yield:

1,3,5-Trioxan (110-88-3) + acetyl chloride (75-36-5) → iodomethyl acetate (13398-11-3)

Guidance literature:

With sodium iodide; In dichloromethane; at 20 ℃;

DOI:10.1055/s-2007-1000858

upstream raw materials:

formaldehyd

acetyl iodide

Chloromethyl acetate

1,3,5-Trioxan

Downstream raw materials:

C₁₃H₁₅O₉P

bis(acetoxymethyl) <(2,4-dichlorophenoxy)carbonyl>phosphonate

C₁₇H₂₄O₄

3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol acetate

Refernces

• 1、 Yang, Yongzheng,Babiak, Peter,Reymond, Jean-Louis. "New monofunctionalized fluorescein derivatives for the efficient high-throughput screening of lipases and esterases in aqueous media". . p. 404 - 415. Retrieved 2006.
• 2、 Velazquez, Carlos,Knaus, Edward E.. "Synthesis and biological evaluation of 1,4-dihydropyridine calcium channel modulators having a diazen-1-ium-1,2-diolate nitric oxide donor moiety for the potential treatment of congestive heart failure". . p. 3831 - 3840. Retrieved 2004.
• 3、 -. "Prodrugs of NH-acidic compounds". Page/Page column 426. . Retrieved 2015/11/16.
• 4、 Thomas, Joshua D.,Sloan, Kenneth B.. "Reaction of α-(n-alkylcarbonyloxy)alkyl (ACOA) halides with 4-hydroxyacetanilide and 2,2,5,7,8-pentamethyl-6-chromanol: The effect of steric hindrance on reaction path". . p. 272 - 278. Retrieved 2008/12/22.