Methyl 4-iodobenzoate

Base Information

• Chemical Name: Methyl 4-iodobenzoate
• CAS No.: 619-44-3
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.047
• Hs Code.: 29163990
• European Community (EC) Number: 210-597-1
• NSC Number: 9393
• DSSTox Substance ID: DTXSID2060703
• Nikkaji Number: J96.152C
• Wikidata: Q72492089
• Mol file: 619-44-3.mol

Synonyms:Methyl 4-iodobenzoate;619-44-3;4-Iodobenzoic acid methyl ester;Methyl p-iodobenzoate;Benzoic acid, 4-iodo-, methyl ester;4-Iodo-benzoic acid methyl ester;Benzoic acid, p-iodo-, methyl ester;NSC 9393;EINECS 210-597-1;methyl-4-iodobenzoate;METHYL-P-IODOBENZOATE;methyl4-iodobenzoate;MFCD00016353;methyl 4-iodo-benzoate;methyl-4-iodo-benzoate;methyl para-iodobenzoate;SCHEMBL7716;Methyl 4-iodobenzoate, 97%;p-iodobenzoic Acid Methylester;DTXSID2060703;NSC9393;NSC-9393;AC-612;STK388509;AKOS000295906;CS-W007583;AM20040875;FT-0618783;I0593;EN300-153348;H10030;10.14272/DYUWQWMXZHDZOR-UHFFFAOYSA-N.1;A833496;11Y-0831;doi:10.14272/DYUWQWMXZHDZOR-UHFFFAOYSA-N.1;W-105073;Z19776689

Chemical Property of Methyl 4-iodobenzoate

Chemical Property:

• Appearance/Colour: beige to pale pink crystalline powder
• Vapor Pressure: 0.00491mmHg at 25°C
• Melting Point: 113-117 °C
• Refractive Index: 1.597
• Boiling Point: 276.1 °C at 760 mmHg
• Flash Point: 120.8 °C
• PSA: 26.30000
• Density: 1.753 g/cm³
• LogP: 2.07780
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-iodobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi， N
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 37/39-26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Esters
• Canonical SMILES: COC(=O)C1=CC=C(C=C1)I
• Uses: suzuki reaction

Technology Process of Methyl 4-iodobenzoate

There total 60 articles about Methyl 4-iodobenzoate 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-iodobenzoic acid (619-58-9) → methyl 4-iodobenzoate (619-44-3)

Guidance literature:

With acetyl chloride; at 60 ℃; for 12h;

DOI:10.1039/c7cc08046h

Reference yield: 97.0%

methanol (67-56-1) + p-(iodophenyl)carboxaldehyde (15164-44-0) → methyl 4-iodobenzoate (619-44-3)

Guidance literature:

With dihydrogen peroxide; at 20 ℃; for 20h;

DOI:10.1016/j.catcom.2014.09.022

Reference yield: 97.0%

4-(Pyrrolidin-1-ylazo)-benzoic acid methyl ester → methyl 4-iodobenzoate (619-44-3)

Guidance literature:

With iodine; In various solvent(s); at 100 ℃; for 9h;

DOI:10.1016/S0040-4039(00)77241-8

upstream raw materials:

methanol

4-iodobenzoic acid

diazomethane

carbon monoxide

Downstream raw materials:

biphenyl-4-carboxylic acid

4-(1-nitro-carbazol-9-yl)-benzoic acid methyl ester

4-(diphenylamino)benzoic acid methyl ester

4-[(4-(methoxycarbonyl)phenyl)amino]benzoic acid methyl ester

Refernces

• 1、 Deckers, Kristina,Fricke, Christoph,Hupperich, Daniel,Kreisel, Tatjana,Mendel, Marvin,Queen, Adele E.,Riegger, Julian,Schoenebeck, Franziska. "Modular Generation of (Iodinated) Polyarenes Using Triethylgermane as Orthogonal Masking Group". . . Retrieved 2022/03/31.
• 2、 -. "BODIPY compounds containing 8-(diphenylethynyl)-ester groups as well as synthesis and application thereof". Paragraph 0034-0038. . Retrieved 2021/02/06.