n-(2-Iodocyclohexyl)acetamide

Base Information

• Chemical Name: n-(2-Iodocyclohexyl)acetamide
• CAS No.: 7707-58-6
• Molecular Formula: C₈H₁₄INO
• Molecular Weight: 267.11
• NSC Number: 123052
• DSSTox Substance ID: DTXSID60298426,DTXSID10999097
• Mol file: 7707-58-6.mol

Synonyms:7707-58-6;n-(2-iodocyclohexyl)acetamide;NSC123052;DTXSID10999097;DTXSID60298426;N-(2-Iodocyclohexyl)ethanimidic acid;NSC-123052

Chemical Property of n-(2-Iodocyclohexyl)acetamide

Chemical Property:

• Vapor Pressure: 8.42E-06mmHg at 25°C
• Boiling Point: 374.3°Cat760mmHg
• Flash Point: 180.2°C
• Density: 1.58g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.01201
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCCCC1I

Technology Process of n-(2-Iodocyclohexyl)acetamide

There total 2 articles about n-(2-Iodocyclohexyl)acetamide 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%

acetonitrile (75-05-8,26809-02-9) + cyclohexene (110-83-8) → trans-1-acetamido-2-iodocyclohexane (4916-78-3,7707-58-6)

Guidance literature:

With water; iodine; boron trifluoride diethyl etherate; In dichloromethane; for 0.0833333h;

DOI:10.1021/ja063675w

Reference yield: 71.0%

acetonitrile (75-05-8,26809-02-9) + cyclohexene (110-83-8) → 1,2-bis(perchloryloxy)cyclohexane (91146-08-6) + trans-1-acetamido-2-iodocyclohexane (4916-78-3,7707-58-6)

Guidance literature:

With iodosyl fluorosulfonate; lithium perchlorate; at -70 ℃; for 0.5h; Yields of byproduct given;

Reference yield:

trans-1-acetamido-2-iodocyclohexane (4916-78-3,7707-58-6) + ethyl 2-bromomethyl-2-propenoate (17435-72-2) → N-acetyl-2-(2-carbethoxyallyl)-1-cyclohexylamine

Guidance literature:

With zinc; Yield given. Multistep reaction; 1.) THF, DMSO, 25 deg C, 1 h, 2.) THF, DMSO, 3.) THF, DMSO, -30 to 25 deg C, 4 h;

DOI:10.1016/S0040-4020(01)86959-3

upstream raw materials:

acetonitrile

cyclohexene