(NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine

Base Information

• Chemical Name: (NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine
• CAS No.: 849469-03-0
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.278
• European Community (EC) Number: 842-264-7
• Mol file: 849469-03-0.mol

Synonyms:849469-03-0;(NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine;EN300-7438265;N-{3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene}hydroxylamine

Chemical Property of (NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine

Chemical Property:

• PSA: 45.48000
• LogP: 2.68200
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 397

Purity/Quality:

98% or more ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)C#CC2=CC(=NO)CCC2
• Isomeric SMILES: CC1=NC(=CC=C1)C#CC2=C/C(=N\O)/CCC2

Technology Process of (NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine

There total 2 articles about (NZ)-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-ylidene]hydroxylamine 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: 42.0%

3-(6-methylpyridin-2-ylethynyl)cyclohex-2-enone (880292-10-4) → 3-(6-methyl-pyridin-2-ylethynyl)-cyclohex-2-enone oxime (849469-03-0)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; at 20 ℃; for 17h;

Reference yield:

2-bromo-6-methylpyridine (5315-25-3) + C8H9NO → 3-(6-methyl-pyridin-2-ylethynyl)-cyclohex-2-enone oxime (849469-03-0)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 26h;

DOI:10.1039/c2md20332d

Reference yield: 90.0%

3-(6-methyl-pyridin-2-ylethynyl)-cyclohex-2-enone oxime (849469-03-0) + [3H]-(methyl 4-nitrobenzene sulfonate) (807620-18-4) → 3-(6-methylpyridin-2-ylethynyl)cyclohex-2-enone O-[methyl-3H3]methyloxime

Guidance literature:

With potassium hexamethylsilazane; In N,N-dimethyl-formamide; toluene; at 20 ℃;

DOI:10.1002/jlcr.1665

upstream raw materials:

3-(6-methylpyridin-2-ylethynyl)cyclohex-2-enone

2-bromo-6-methylpyridine

Downstream raw materials:

[11C]-ABP₆₈₈

(Z)-3-(6-methylpyridin-2-ylethynyl)cyclohex-2-enone O-methyloxime

3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone O-methyl oxime