2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide

Base Information

• Chemical Name: 2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide
• CAS No.: 111771-14-3
• Molecular Formula: C11H13FINO2
• Molecular Weight: 337.133
• DSSTox Substance ID: DTXSID80554031
• Wikidata: Q82434831
• Mol file: 111771-14-3.mol

Synonyms:111771-14-3;2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide;SCHEMBL6421818;DTXSID80554031

Chemical Property of 2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 336.99750
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)NC(=O)C1=C(C=CC=C1I)F

Technology Process of 2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide

There total 3 articles about 2-Fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-6-iodobenzamide 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: 90.0%

2-fluoro-6-iodobenzoyl chloride (111771-12-1) + 2-Amino-2-methyl-1-propanol (124-68-5) → N-(2-methyl-3-hydroxypropyl)-2-flouro-6-iodobenzamide (111771-14-3)

Guidance literature:

In dichloromethane; at 0 ℃; for 3.5h;

DOI:10.1021/jo00237a023

Reference yield:

2-fluoro-6-iodobenzoic acid (111771-08-5) → N-(2-methyl-3-hydroxypropyl)-2-flouro-6-iodobenzamide (111771-14-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 20 h / Ambient temperature

2: 90 percent / CH₂Cl₂ / 3.5 h / 0 °C

With thionyl chloride; In dichloromethane;

DOI:10.1021/jo00237a023

Reference yield:

→ N-(2-methyl-3-hydroxypropyl)-2-flouro-6-iodobenzamide (111771-14-3)

Guidance literature:

upstream raw materials:

2-fluoro-6-iodobenzoyl chloride

2-Amino-2-methyl-1-propanol

2-fluoro-6-iodobenzoic acid

Downstream raw materials:

2-(-2-fluoro-6-iodophenyl)-4,4-dimethyl-2-oxazoline

6-fluoro-2-<(5,6,7,8-tetrahydro-1-naphthalenyl)methyl>benzoic acid