4-Iodo-N-methoxy-N-methyl-benzamide

Base Information

• Chemical Name: 4-Iodo-N-methoxy-N-methyl-benzamide
• CAS No.: 187617-01-2
• Molecular Formula: C9H10 I N O2
• Molecular Weight: 291.088
• Hs Code.: 2924299090
• European Community (EC) Number: 675-706-0
• DSSTox Substance ID: DTXSID90420137
• Wikidata: Q82231357
• Mol file: 187617-01-2.mol

Synonyms:4-iodo-N-methoxy-N-methylbenzamide;187617-01-2;4-Iodo-N-methoxy-N-methyl-benzamide;UPCMLD00WMAL417;SCHEMBL379136;DTXSID90420137;NVGFRBWIKFNPEG-UHFFFAOYSA-N;p-iodo-N-methoxy-N-methyl-benzamide;MFCD08061211;AKOS008917317;AS-37907;N,O-Dimethyl-4-iodobenzenehydroxamic acid;O,N-dimethyl-4-iodobenzenehydroxamic acid;CS-0172388;FT-0740203;A813161;(R)-3-AMINO-4-(4-FLUOROPHENYL)BUTANOICACID;F1903-0251

Chemical Property of 4-Iodo-N-methoxy-N-methyl-benzamide

Chemical Property:

• Vapor Pressure: 1.26E-05mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 368.6°Cat760mmHg
• Flash Point: 176.7°C
• PSA: 29.54000
• Density: 1.681g/cm³
• LogP: 1.92460
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 290.97563
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

4-Iodo-N-methoxy-N-methylbenzamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Iodo-N-methoxy-N-methyl-benzamide

There total 7 articles about 4-Iodo-N-methoxy-N-methyl-benzamide 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: 88.0%

4-iodobenzoic acid chloride (1711-02-0) + N,0-dimethylhydroxylamine (1117-97-1) → N,O-Dimethyl-4-iodobenzenehydroxamic acid (187617-01-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201404527

Reference yield: 81.0%

4-iodobenzoic acid (619-58-9) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → N,O-Dimethyl-4-iodobenzenehydroxamic acid (187617-01-2)

Guidance literature:

4-iodobenzoic acid; With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 ℃; for 0.25h;

N,O-dimethylhydroxylamine*hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 1h; chemoselective reaction;

DOI:10.1080/00397911.2020.1747631

Reference yield: 43.0%

4-iodobenzoic acid (619-58-9) + N,0-dimethylhydroxylamine (1117-97-1) → N,O-Dimethyl-4-iodobenzenehydroxamic acid (187617-01-2)

Guidance literature:

4-iodobenzoic acid; With phosphorus pentoxide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

N,0-dimethylhydroxylamine; With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.151311

upstream raw materials:

1-(bromomethyl)-2,4-difluorobenzene

4-iodobenzoic acid

4-iodobenzoic acid chloride

N,0-dimethylhydroxylamine

Downstream raw materials:

2-(2,4-difluorophenyl)-1-(4-iodophenyl)ethanone

2-(2-Chlorophenyl)-1-(4-iodophenyl)ethanone

2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide

C₁₆H₁₇N₃O₃