2-(3-Iodopropyl)-2-methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-(3-Iodopropyl)-2-methyl-1,3-dioxolane
• CAS No.: 3695-28-1
• Molecular Formula: C7H13IO2
• Molecular Weight: 256.084
• DSSTox Substance ID: DTXSID40455898
• Nikkaji Number: J584.189E
• Wikidata: Q82278057
• Mol file: 3695-28-1.mol

Synonyms:2-(3-iodopropyl)-2-methyl-1,3-dioxolane;3695-28-1;4,4-ethylenedioxypentyliodide;SCHEMBL18322828;DTXSID40455898;QRDYHKLLQVGVNO-UHFFFAOYSA-N;5-iodo-2-pentanone ethylene ketal;2-(3-iodo-propyl)-2-methyl-[1,3]dioxolane

Chemical Property of 2-(3-Iodopropyl)-2-methyl-1,3-dioxolane

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 255.99603
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)CCCI

Technology Process of 2-(3-Iodopropyl)-2-methyl-1,3-dioxolane

There total 1 articles about 2-(3-Iodopropyl)-2-methyl-1,3-dioxolane 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: 84.0%

3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol (29021-98-5) → 5-iodo-2-pentanone ethylene ketal (3695-28-1)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 18.5h; Darkness;

DOI:10.1021/acs.joc.9b03449

Reference yield: 95.0%

5-iodo-2-pentanone ethylene ketal (3695-28-1) + methyl cyclohexa-2,5-diene-1-carboxylate (30889-20-4) → 1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-propyl]-cyclohexa-2,5-dienecarboxylic acid methyl ester (155312-75-7)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield: 89.0%

5-iodo-2-pentanone ethylene ketal (3695-28-1) + benzylamine (100-46-9) → 5-(N-benzylamino)-2-pentanone ethylene acetal (501346-84-5)

Guidance literature:

With potassium carbonate; at 70 ℃; for 24h;

DOI:10.1021/ja029114w

upstream raw materials:

3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol

Downstream raw materials:

(E)-9-oxo-dec-2-enoic acid

1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-propyl]-cyclohexa-2,5-dienecarboxylic acid methyl ester

2-(4-oxopentyl)-2-cyclohexen-1-one

Benzyl-2-acetamido-2-desoxy-6-O-<4-(1,3-dioxol-2-yl)pentyl>-3,4-O-isopropyliden-α-D-galactopyranosid