Methyl 4-iodo-2-methylbenzoate

Base Information

• Chemical Name: Methyl 4-iodo-2-methylbenzoate
• CAS No.: 103440-53-5
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• DSSTox Substance ID: DTXSID00571765
• Wikidata: Q82459930
• Mol file: 103440-53-5.mol

Synonyms:Methyl 4-iodo-2-methylbenzoate;103440-53-5;4-Iodo-2-methyl-benzoic acid methyl ester;MFCD18399464;Benzoic acid, 4-iodo-2-methyl-, methyl ester;Methyl4-iodo-2-methylbenzoate;SCHEMBL2351916;DTXSID00571765;AMTCFHNIEBPFLM-UHFFFAOYSA-N;AKOS016007367;AC-28616;DS-17149;SY103820;CS-0041219;F19913;EN300-3543406;A896463

Chemical Property of Methyl 4-iodo-2-methylbenzoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.38620
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.4
• 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:

97% ^*data from raw suppliers

Methyl4-Iodo-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-iodo-2-methylbenzoate

There total 3 articles about Methyl 4-iodo-2-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: 89.0%

methyl 4-amino-2-methylbenzoate (6933-47-7) → 4-iodo-2-methyl-benzoic acid methyl ester (103440-53-5)

Guidance literature:

With hydrogen iodide; sodium nitrite; In water; dimethyl sulfoxide; at 40 ℃; for 0.25h;

Reference yield: 85.7%

methanol (67-56-1) + 4-iodo-2-methylbenzoic acid (133232-58-3) → 4-iodo-2-methyl-benzoic acid methyl ester (103440-53-5)

Guidance literature:

With thionyl chloride; for 6h; Reflux;

Reference yield:

→ 4-iodo-2-methyl-benzoic acid methyl ester (103440-53-5)

Guidance literature:

upstream raw materials:

methanol

4-iodo-2-methylbenzoic acid

methyl 4-amino-2-methylbenzoate

Downstream raw materials:

Methyl-2-methyl-4-trifluormethyl-benzoat

C₁₁H₁₂INO

2-(3-(4-methylpiperazin-1-yl)propyl)-5-(5-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)thiophen-2-yl)isoindolin-1-one

2-ethyl-5-(5-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)thiophen-2-yl)isoindolin-1-one