2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide

Base Information

• Chemical Name: 2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide
• CAS No.: 99540-20-2
• Molecular Formula: C11H14INO2
• Molecular Weight: 319.13883
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90554522
• Wikidata: Q82435554
• Mol file: 99540-20-2.mol

Synonyms:99540-20-2;2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide;2-(2-IODO-5-METHOXY-PHENYL)-N,N-DIMETHYL-ACETAMIDE;starbld0031001;N,N-dimethyl-2-iodo-5-methoxybenzeneacetamide;SCHEMBL10411874;DTXSID90554522;MCNOFYYFRXRROA-UHFFFAOYSA-N;AKOS030255429;J-009786;2-(2-Iodo-5-methoxy-phenyl)-N hydrochloriden-dimethyl-acetamide

Chemical Property of 2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide

Chemical Property:

• Melting Point: 86-89 °C
• Boiling Point: 390.9±37.0 °C(Predicted)
• PKA: -0.63±0.70(Predicted)
• PSA: 29.54000
• Density: 1.551±0.06 g/cm3(Predicted)
• LogP: 1.93050
• Solubility.: Chloroform, Ethyl Acetate, Ethyl Ether,
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 319.00693
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Iodo-5-methoxy-phenyl)-N,N-dimethyl-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)CC1=C(C=CC(=C1)OC)I
• Uses: 2-(2-Iodo-5-methoxy-phenyl)-N,N-dimethyl-acetamide (cas# 99540-20-2) is a compound useful in organic synthesis.

Technology Process of 2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide

There total 4 articles about 2-(2-Iodo-5-methoxyphenyl)-N,N-dimethylacetamide 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: 80.0%

2-(3-methoxyphenyl)-N,N-dimethylacetamide (90526-08-2) → (6-iodo-3-methoxy)phenyl-N,N-dimethylacetamide (99540-20-2)

Guidance literature:

With N-iodo-succinimide; In acetonitrile; for 12h; Heating;

DOI:10.1021/jm030891w

Reference yield: 80.0%

dimethyl amine (124-40-3) + (2-Iodo-5-methoxy-phenyl)-acetyl chloride (112399-38-9) → (6-iodo-3-methoxy)phenyl-N,N-dimethylacetamide (99540-20-2)

Guidance literature:

In N,N-dimethyl-formamide; for 3h; Ambient temperature;

DOI:10.1021/jm00398a023

Reference yield:

2-(2-iodo-5-methoxyphenyl)acetic acid (73029-52-4) → (6-iodo-3-methoxy)phenyl-N,N-dimethylacetamide (99540-20-2)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride / dimethylformamide / 16 h / Ambient temperature

2: 80 percent / dimethylformamide / 3 h / Ambient temperature

With oxalyl dichloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00398a023

upstream raw materials:

dimethyl amine

(2-Iodo-5-methoxy-phenyl)-acetyl chloride

2-(3-methoxyphenyl)-N,N-dimethylacetamide

2-(2-iodo-5-methoxyphenyl)acetic acid

Downstream raw materials:

2-iodo-5-methoxy-N,N-dimethylbenzeneethanamine

2-[(2',6'-dichlorophenyl)amino]-5-methoxyphenyl-N,N-dimethylacetamide

2-iodo-5-methoxy-N,N-dimethylbenzeneethanamine hydrochloride

5-methoxy-N,N-dimethyl-2-(phenylethynyl)benzeneethanamine