Ethyl 3-iodocyclobutane-1-carboxylate

Base Information

• Chemical Name: Ethyl 3-iodocyclobutane-1-carboxylate
• CAS No.: 98431-45-9
• Molecular Formula: C7H11IO2
• Molecular Weight: 254.068
• Hs Code.: 2916200090
• European Community (EC) Number: 817-365-4
• Mol file: 98431-45-9.mol

Synonyms:98431-45-9;Ethyl 3-iodocyclobutane-1-carboxylate;Cyclobutanecarboxylic acid, 3-iodo-, ethyl ester;ethyl 3-iodocyclobutanecarboxylate;3-Iodo-cyclobutanecarboxylic acid ethyl ester;SCHEMBL5547022;MFCD20257322;DA-20334;CS-0434722

Chemical Property of Ethyl 3-iodocyclobutane-1-carboxylate

Chemical Property:

• PSA: 26.30000
• LogP: 1.76310
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.98038
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

95+% ^*data from raw suppliers

3-Iodocyclobutanecarboxylic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC(C1)I

Technology Process of Ethyl 3-iodocyclobutane-1-carboxylate

There total 3 articles about Ethyl 3-iodocyclobutane-1-carboxylate 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:

ethyl 3-(tosyloxy)cyclobutane-1-carboxylate → ethyl 3-iodocyclobutane-1-carboxylate (98431-45-9)

Guidance literature:

With sodium iodide; In butanone; at 120 ℃; for 4h; Microwave irradiation;

Reference yield:

ethyl trans-3-hydroxycyclobutanecarboxylate (17205-02-6) → ethyl 3-iodocyclobutane-1-carboxylate (98431-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0 - 20 °C

2: sodium iodide / butanone / 4 h / 120 °C / Microwave irradiation

With pyridine; sodium iodide; In butanone;

Reference yield:

→ ethyl 3-iodocyclobutane-1-carboxylate (98431-45-9)

Guidance literature:

With ethanol; potassium iodide;

upstream raw materials:

ethyl trans-3-hydroxycyclobutanecarboxylate

Downstream raw materials:

Cyclobutanecarboxylic acid

Refernces

• 1、 -. "PDE 10a Inhibitors for the Treatment of Type II Diabetes". . . Retrieved 2015/01/06.