Methyl 3-fluoro-6-iodo-2-Methylbenzoate

Base Information

• Chemical Name: Methyl 3-fluoro-6-iodo-2-Methylbenzoate
• CAS No.: 1262417-94-6
• Molecular Formula: C9H8FIO2
• Molecular Weight: 294.064
• Mol file: 1262417-94-6.mol

Synonyms:Methyl 3-fluoro-6-iodo-2-Methylbenzoate;Benzoic acid, 3-fluoro-6-iodo-2-Methyl-, Methyl ester

Chemical Property of Methyl 3-fluoro-6-iodo-2-Methylbenzoate

Chemical Property:

• Boiling Point: 274.5±40.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.730±0.06 g/cm3(Predicted)
• LogP: 2.52530
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-fluoro-6-iodo-2-methylbenzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-fluoro-6-iodo-2-Methylbenzoate

There total 4 articles about Methyl 3-fluoro-6-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:

methanol (67-56-1) + 3-fluoro-6-iodo-2-methylbenzoic acid (1417190-31-8) → methyl 3-fluoro-6-iodo-2-methylbenzoate (1262417-94-6)

Guidance literature:

3-fluoro-6-iodo-2-methylbenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.5h;

methanol; at 20 ℃; for 18h;

Reference yield:

3-fluoro-2-methylbenzoic acid (699-90-1) → methyl 3-fluoro-6-iodo-2-methylbenzoate (1262417-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: [bis(acetoxy)iodo]benzene; iodine; palladium diacetate / N,N-dimethyl-formamide / 18 h / 100 °C / Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 20 °C

2.2: 2 h / 20 °C

With [bis(acetoxy)iodo]benzene; iodine; palladium diacetate; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.5b00680

Reference yield:

3-fluoro-6-iodo-2-methylbenzoic acid (1417190-31-8) + methyl p-toluene sulfonate (80-48-8) → methyl 3-fluoro-6-iodo-2-methylbenzoate (1262417-94-6)

Guidance literature:

3-fluoro-6-iodo-2-methylbenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

methyl p-toluene sulfonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b00680

upstream raw materials:

3-fluoro-2-methylbenzoic acid

3-fluoro-6-iodo-2-methylbenzoic acid

methyl p-toluene sulfonate

methanol

Downstream raw materials:

2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-4-fluoro-7-iodo-2,3-dihydro-1H-isoindol-1-one

7-fluoro-2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindole-4-carbonitrile

2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-7-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Refernces

• 1、 -. "HETEROARYL SUBSTITUTED BENZOIC ACIDS AS RORGAMMAT INHIBITORS AND USES THEREOF". . . Retrieved 2017/05/17.
• 2、 -. "3-OXO-2, 3-DIHYDRO-LH-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS". Page/Page column 49-50. . Retrieved 2011/02/24.