4-Methoxyphenethyl iodide

Base Information

• Chemical Name: 4-Methoxyphenethyl iodide
• CAS No.: 38954-00-6
• Molecular Formula: C9H11IO
• Molecular Weight: 262.09
• ChEMBL ID: CHEMBL51858
• DSSTox Substance ID: DTXSID801301887
• Nikkaji Number: J3.270.203A
• Mol file: 38954-00-6.mol

Synonyms:4-methoxyphenethyl iodide;38954-00-6;1-(2-iodoethyl)-4-methoxybenzene;CHEMBL51858;SCHEMBL178692;QOPVQNMKNZBTGL-UHFFFAOYSA-N;BDBM188220;DTXSID801301887;AKOS014115495;US9073941, 36

Chemical Property of 4-Methoxyphenethyl iodide

Chemical Property:

• Boiling Point: 117 - 119 °C (1 mmHg)
• PSA: 9.23000
• LogP: 2.67270
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.98546
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

95%-98% ^*data from raw suppliers

4-Methoxyphenethyliodide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCI

Technology Process of 4-Methoxyphenethyl iodide

There total 10 articles about 4-Methoxyphenethyl iodide 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: 95.0%

2-(4-Methoxyphenyl)ethanol (702-23-8) → 1-iodo-2-(4-methoxyphenyl)ethane (38954-00-6)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; Cooling with ice;

DOI:10.1002/anie.201916014

Reference yield: 82.0%

1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0) → 1-iodo-2-(4-methoxyphenyl)ethane (38954-00-6)

Guidance literature:

With sodium iodide; In acetone; at 60 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01204

Reference yield: 70.0%

3-(4-methoxyphenyl)propanoic acid (1929-29-9) → 1-iodo-2-(4-methoxyphenyl)ethane (38954-00-6)

Guidance literature:

With 3-iodo-4,4-dimethyloxazolidin-2-one; In dichloromethane; for 1h; Reagent/catalyst; Time; Reflux; Irradiation;

upstream raw materials:

2-(p-methoxyphenyl)ethyl toluene-p-sulphonate

2-(4-Methoxyphenyl)ethanol

1-Tosyl-1-<2-(4-methoxyphenyl)ethyl>hydrazine

4-Methoxyphenylacetic acid

Downstream raw materials:

3-ethoxy-6-[2-(4-methoxy-phenyl)-ethyl]-cyclohex-2-enone

2-[2-(4-methoxyphenyl)ethyl]indane-1,3-dione

4-[2-(4-methoxy-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde

4-[2-(4-methoxy-phenyl)-ethyl]-4-methyl-cyclohex-2-enone

Refernces

• 1、 Donslund, Aske S.,Pedersen, Simon S.,Gaardbo, Cecilie,Neumann, Karoline T.,Kingston, Lee,Elmore, Charles S.,Skrydstrup, Troels. "Direct Access to Isotopically Labeled Aliphatic Ketones Mediated by Nickel(I) Activation". supporting information. p. 8099 - 8103. Retrieved 2020/03/16.
• 2、 Zhao, Mingyue,Barrado, Alejandro G.,Sprenger, Kristin,Golz, Christopher,Mata, Ricardo A.,Alcarazo, Manuel. "Electrophilic Cyanative Alkenylation of Arenes". supporting information. p. 4932 - 4937. Retrieved 2020/06/08.