Methyl 4-Iodophenylacetate

Base Information

• Chemical Name: Methyl 4-Iodophenylacetate
• CAS No.: 63349-52-0
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• DSSTox Substance ID: DTXSID30439006
• Nikkaji Number: J2.509.145K
• Wikidata: Q82254872
• Mol file: 63349-52-0.mol

Synonyms:Methyl 4-Iodophenylacetate;63349-52-0;Methyl 2-(4-iodophenyl)acetate;4-IODPHENYLACETIC ACID METHYL ESTER;MFCD09752980;Methyl4-Iodophenylacetate;methyl-4-iodophenylacetate;methyl(4-iodophenyl)acetate;Methyl (4-iodophenyl)acetate;SCHEMBL829305;methyl-(4-iodophenyl)-acetate;DTXSID30439006;IYIVBGQBEMSRLO-UHFFFAOYSA-N;AC6509;4-iodophenyl acetic acid methyl ester;AKOS015940451;4-iodo phenyl acetic acid methyl ester;FS-5110;(4-iodo-phenyl)-acetic acid methyl ester;2-(4-Iodophenyl)acetic acid methyl ester;SY041745;CS-0094448;A917578

Chemical Property of Methyl 4-Iodophenylacetate

Chemical Property:

• Boiling Point: 271.9±15.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.680±0.06 g/cm3(Predicted)
• LogP: 2.00670
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-Iodophenylacetate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(C=C1)I

Technology Process of Methyl 4-Iodophenylacetate

There total 14 articles about Methyl 4-Iodophenylacetate 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: 100.0%

methanol (67-56-1) + (4-iodophenyl)acetic acid (1798-06-7) → methyl 4-iodophenylacetate (63349-52-0)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201800777

Reference yield: 100.0%

(4-iodophenyl)acetic acid (1798-06-7) + methyl iodide (74-88-4) → methyl 4-iodophenylacetate (63349-52-0)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

DOI:10.1002/adsc.201901343

Reference yield: 98.0%

(4-iodophenyl)acetic acid (1798-06-7) → methyl 4-iodophenylacetate (63349-52-0)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 24h;

upstream raw materials:

methanol

(4-iodophenyl)acetic acid

4-Iodoacetophenone

4-Iodobenzeneacetyl chloride

Downstream raw materials:

5-Formyl-2-methoxy-4'--diphenyl-aether

methyl 2-(4-(4-hydroxybut-1-yn-1-yl)phenyl)acetate

[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)-phenyl] acetic Acid Methyl Ester

methyl {4-[4-(1-isopropoxycyclopropyl)-phenylethynyl]-phenyl}-acetate