N,N-diethyl-4-iodobenzamide

Base Information

• Chemical Name: N,N-diethyl-4-iodobenzamide
• CAS No.: 77350-52-8
• Molecular Formula: C11H14INO
• Molecular Weight: 303.143
• DSSTox Substance ID: DTXSID30358046
• Nikkaji Number: J709.013G
• Wikidata: Q82138314
• Mol file: 77350-52-8.mol

Synonyms:N,N-diethyl-4-iodobenzamide;77350-52-8;Benzamide, N,N-diethyl-4-iodo-;4-Iodo-N,N-diethylbenzamide;Cambridge id 6166974;SCHEMBL73928;N,N-diethyl 4-iodo-benzamide;4-Diethylcarbamoyl-1-iodobenzene;DTXSID30358046;GHOMPHXKTJFWCV-UHFFFAOYSA-N;HMS1585G06;STK019680;AKOS003360866;BS-24462;FT-0728737;E78284;AB00103175-01;A865278;SR-01000229653;SR-01000229653-1

Chemical Property of N,N-diethyl-4-iodobenzamide

Chemical Property:

• PSA: 20.31000
• LogP: 2.77320
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 303.01201
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

N,N-Diethyl-4-iodobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-diethyl-4-iodobenzamide

There total 4 articles about N,N-diethyl-4-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: 98.0%

diethylamine (109-89-7) + 4-iodobenzoic acid chloride (1711-02-0) → N,N-diethyl-4-iodobenzamide (77350-52-8)

Guidance literature:

In dichloromethane; 1) 0 deg C, 10 min; 2) rt, 15 h;

DOI:10.1021/jo951844h

Reference yield: 96.0%

4-iodobenzoic acid (619-58-9) + diethylamine (109-89-7) → N,N-diethyl-4-iodobenzamide (77350-52-8)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; dichloromethane; at 23 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03298

Reference yield: 92.0%

4-iodobenzoic acid (619-58-9) → N,N-diethyl-4-iodobenzamide (77350-52-8)

Guidance literature:

upstream raw materials:

diethylamine

4-iodobenzoic acid chloride

4-iodobenzoic acid

Downstream raw materials:

N,N-diethyl-4-[hydroxy(5-isoquinolinyl)methyl]benzamide

N,N-diethyl-4-(hydroxy-quinolin-7-yl-methyl)-benzamide

N,N-diethyl-4-(hydroxy-quinolin-6-yl-methyl)-benzamide

4-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)methyl]-N,N-diethylbenzamide