3-(4-Iodophenoxy)azetidine

Base Information

• Chemical Name: 3-(4-Iodophenoxy)azetidine
• CAS No.: 1219948-76-1
• Molecular Formula: C₉H₁₀INO
• Molecular Weight: 275.089
• DSSTox Substance ID: DTXSID401311517
• Mol file: 1219948-76-1.mol

Synonyms:3-(4-IODOPHENOXY)AZETIDINE;1219948-76-1;Azetidine, 3-(4-iodophenoxy)-;SCHEMBL14862725;NEJYPHMSMQSEOM-UHFFFAOYSA-N;DTXSID401311517;AKOS012078370;A1-16401

Chemical Property of 3-(4-Iodophenoxy)azetidine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.98071
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Iodophenoxy)azetidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN1)OC2=CC=C(C=C2)I

Technology Process of 3-(4-Iodophenoxy)azetidine

There total 1 articles about 3-(4-Iodophenoxy)azetidine 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:

p-Iodophenol (540-38-5) → 3-(4-iodophenoxy)azetidine (1219948-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 2 h / 60 °C

1.2: 21 h / 80 °C

2.1: carbonochloridic acid 1-chloro-ethyl ester / acetonitrile / 8 h / 80 °C

2.2: 2 h / Reflux

With carbonochloridic acid 1-chloro-ethyl ester; sodium hydride; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/j.bmc.2020.115964

Reference yield: 50.0%

3-(4-iodophenoxy)azetidine (1219948-76-1) + tert-butyldimethylsiloxyacetaldehyde (102191-92-4) → 1-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-3-(4-iodophenoxy)azetidine

Guidance literature:

3-(4-iodophenoxy)azetidine; tert-butyldimethylsiloxyacetaldehyde; In methanol; at 20 ℃; for 2h;

With sodium tris(acetoxy)borohydride; In methanol; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.0c01215

upstream raw materials:

p-Iodophenol