[N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel

Base Information

• Chemical Name: [N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel
• CAS No.: 847654-16-4
• Molecular Formula: C25H31 N3 Ni O3
• Molecular Weight: 480.229
• European Community (EC) Number: 679-701-4
• Mol file: 847654-16-4.mol

Synonyms:847654-16-4;[N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel;[2-[N-(Carboxymethyl)-C-phenylcarbonimidoyl]phenyl]-[2-(dibutylamino)acetyl]azanide;nickel;MFCD10566890;D90199;[N-[-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel

Chemical Property of [N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel

Chemical Property:

• PSA: 62.21000
• LogP: 3.73160
• Solubility.: soluble in Chloroform
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 480.179709
• Heavy Atom Count: 32
• Complexity: 571

Purity/Quality:

98%,99%, ^*data from raw suppliers

[N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CC(=O)[N-]C1=CC=CC=C1C(=NCC(=O)O)C2=CC=CC=C2.[Ni]

Technology Process of [N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel

There total 2 articles about [N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel 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: 99.0%

N-(2-benzoyl-phenyl)-2-dibutylamino-acetamide + nickel(II) nitrate hexahydrate + glycine (56-40-6,18875-39-3,25718-94-9) → [Ni((CH3CH2CH2CH2)2NCH2CONC6H4C(C6H5)NCH2COO)] (847654-16-4)

Guidance literature:

With potassium hydroxide; In methanol; at 60 - 70 ℃;

DOI:10.1016/j.tet.2020.131741

Reference yield:

(2-aminophenyl)(phenyl)methanone (2835-77-0) → [Ni((CH3CH2CH2CH2)2NCH2CONC6H4C(C6H5)NCH2COO)] (847654-16-4)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 1 h / 20 °C / Inert atmosphere

2: potassium carbonate / acetonitrile / 2 h / 60 °C / Inert atmosphere

3: potassium hydroxide / methanol / 60 - 70 °C

With potassium carbonate; potassium hydroxide; In methanol; acetonitrile;

DOI:10.1016/j.tet.2020.131741

Reference yield: 97.0%

[Ni((CH3CH2CH2CH2)2NCH2CONC6H4C(C6H5)NCH2COO)] (847654-16-4) + methyl iodide (74-88-4) → C26H33N3NiO3

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tet.2020.131741

upstream raw materials:

glycine

(2-aminophenyl)(phenyl)methanone

Downstream raw materials:

[Ni₂((CH₃CH₂CH₂CH₂)2NCH₂CONC₆H₄C(C₆H₅)N)2]

Refernces