1-(Benzyloxy)-4-iodobutane

Base Information

• Chemical Name: 1-(Benzyloxy)-4-iodobutane
• CAS No.: 50873-94-4
• Molecular Formula: C11H15IO
• Molecular Weight: 290.144
• DSSTox Substance ID: DTXSID60451877
• Nikkaji Number: J2.039.786A
• Wikidata: Q82272157
• Mol file: 50873-94-4.mol

Synonyms:1-(Benzyloxy)-4-iodobutane;50873-94-4;4-iodobutoxymethylbenzene;Benzyl 4-iodobutyl ether;((4-Iodobutoxy)methyl)benzene;Benzyl4-iodobutylether;4-Iodobutylbenzyl ether;(4-iodobutoxymethyl)benzene;SCHEMBL1319297;DTXSID60451877;GTQXIWCYQNTNIB-UHFFFAOYSA-N;CS-0435078;FT-0702774;F80496

Chemical Property of 1-(Benzyloxy)-4-iodobutane

Chemical Property:

• Boiling Point: 297.9±23.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.473±0.06 g/cm3(Predicted)
• LogP: 3.41840
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 290.01676
• Heavy Atom Count: 13
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

Benzyl4-iodobutylether 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCCCI

Technology Process of 1-(Benzyloxy)-4-iodobutane

There total 10 articles about 1-(Benzyloxy)-4-iodobutane 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: 94.2%

4-(benzyloxy)butyl methanesulfonate (121683-04-3) → (4-iodobutoxymethyl)benzene (50873-94-4)

Guidance literature:

With sodium iodide; In acetone; for 3h; Heating;

DOI:10.1016/S0040-4020(98)00752-2

Reference yield: 94.0%

4-benzyloxy-butan-1-ol (4541-14-4) → (4-iodobutoxymethyl)benzene (50873-94-4)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine;

DOI:10.1016/j.tetlet.2009.06.068

Reference yield: 87.0%

[(4-chlorobutoxy)methyl]benzene (50873-93-3) → (4-iodobutoxymethyl)benzene (50873-94-4)

Guidance literature:

With sodium iodide; In acetone; for 3h; Heating;

upstream raw materials:

[(4-chlorobutoxy)methyl]benzene

4-benzyloxy-butan-1-ol

4-(benzyloxy)butyl 4-methylbenzene-1-sulfonate

4-(benzyloxy)butyl methanesulfonate

Downstream raw materials:

(1S,2R)-N-C₆H₅CH₂O(CH₂)4-N-methylnorephedrine

(1S,2R)-2--N-butylamino>-1-phenylpropan-1-ol

4-benzyloxybut-1-ene

2-(4-benzyloxybutyl)cyclohexanone