Methyl 2-iodo-5-methylbenzoate

Base Information

• Chemical Name: Methyl 2-iodo-5-methylbenzoate
• CAS No.: 103440-52-4
• Molecular Formula: C9H9 I O2
• Molecular Weight: 276.074
• Hs Code.: 2916399090
• European Community (EC) Number: 600-437-2
• DSSTox Substance ID: DTXSID30558145
• Wikidata: Q82440325
• Mol file: 103440-52-4.mol

Synonyms:methyl 2-iodo-5-methylbenzoate;103440-52-4;2-iodo-5-methylbenzoic acid methyl ester;MFCD12198129;Benzoic acid, 2-iodo-5-methyl-, methyl ester;Methyl2-Iodo-5-methylbenzoate;Methyl 6-Iodo-m-toluate;SCHEMBL1421927;4-Iodo-3-methoxycarbonyltoluene;DTXSID30558145;DHYMLHOXGMUIDZ-UHFFFAOYSA-N;6-Iodo-m-toluic Acid Methyl Ester;AKOS005256218;CS-W011368;Methyl 2-iodo-5-methylbenzoate, 95%;AS-42991;SY027849;2-iodo-5-methyl-benzoic acid, methyl ester;M3019;A800737;W-204497

Chemical Property of Methyl 2-iodo-5-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 280.961°C at 760 mmHg
• Flash Point: 123.721°C
• PSA: 26.30000
• Density: 1.674 g/mL at 25 °C
• LogP: 2.38620
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-Iodo-5-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-iodo-5-methylbenzoate

There total 9 articles about Methyl 2-iodo-5-methylbenzoate 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: 99.0%

methanol (67-56-1) + 2-iodoyl-5-methylbenzoic acid (52548-14-8) → methyl 2-iodo-5-methylbenzoate (103440-52-4)

Guidance literature:

With sulfuric acid; for 40h; Reflux;

DOI:10.1002/cmdc.201600175

Reference yield: 98.0%

2-iodoyl-5-methylbenzoic acid (52548-14-8) → methyl 2-iodo-5-methylbenzoate (103440-52-4)

Guidance literature:

With sulfuric acid; In methanol; at 65 ℃; for 18h; Large scale;

DOI:10.1021/op3002678

Reference yield: 90.0%

2-iodoyl-5-methylbenzoic acid (52548-14-8) + methyl iodide (74-88-4) → methyl 2-iodo-5-methylbenzoate (103440-52-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 16h;

upstream raw materials:

methanol

2-iodoyl-5-methylbenzoic acid

2-Amino-5-methylbenzoic acid

Trimethyl orthoacetate

Downstream raw materials:

2-cyano-5-methyl-benzoic acid methyl ester

2-butoxy-9-(4-iodo-3-methoxycarbonylbenzyl)-8-methoxyadenine

5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester

C₁₂H₁₃ClO₂

Refernces

• 1、 Moss, Robert A.,Chung, Yong-Chan. "Immobilized Iodosobenzoate Catalysts for the Cleavage of Reactive Phosphates". . p. 2064 - 2069. Retrieved 1990.
• 2、 -. "Method for preparing iodo-benzoic acid (ester) by improving moral Michael reaction". . . Retrieved 2021/11/03.