Adipimide

Base Information

• Chemical Name: Adipimide
• CAS No.: 4726-93-6
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• Hs Code.: 2933998090
• European Community (EC) Number: 809-473-5
• DSSTox Substance ID: DTXSID70197077
• Nikkaji Number: J86.658J
• Wikidata: Q83070050
• Mol file: 4726-93-6.mol

Synonyms:azepane-2,7-dione;ADIPIMIDE;4726-93-6;Hexanimide;1H-Azepine-2,7-dione, tetrahydro-;BRN 0002944;5-21-09-00578 (Beilstein Handbook Reference);azepane-2,7-dione,;SCHEMBL1335950;DTXSID70197077;AKOS009486522;LS-15267;CS-0078657;EN300-41707

Chemical Property of Adipimide

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Boiling Point: 295.3°Cat760mmHg
• Flash Point: 148.8°C
• PSA: 49.66000
• Density: 1.122g/cm³
• LogP: 0.47910
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

NLT 98% ^*data from raw suppliers

Azepane-2,7-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=O)NC(=O)C1

Technology Process of Adipimide

There total 2 articles about Adipimide 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:

1-methyl-2-azepanone (2556-73-2) → caprolactam (105-60-2,9012-16-2) + hexahydro-1-methyl-2H-azepin-2,7-dione (19519-86-9) + adipimide (4726-93-6)

Guidance literature:

With α-D-glucose 6-phosphate; NADP; magnesium chloride; P₄₅₀; In phosphate buffer; at 37 ℃; pH=7.4; Kinetics; Microbiological reaction;

DOI:10.1039/b102731j

Reference yield:

5-cyanopentanoic acid (5264-33-5) → Adipic acid (124-04-9) + hexanedinitrile (111-69-3) + adipimide (4726-93-6)

Guidance literature:

at 230 ℃; under 20 Torr;

Reference yield: 78.0%

adipimide (4726-93-6) + phosphorous acid trimethyl ester (121-45-9) → hexanedioic acid dimethyl ester (627-93-0)

Guidance literature:

With diethylazodicarboxylate; In tetrahydrofuran; for 2h;

upstream raw materials:

5-cyanopentanoic acid

1-methyl-2-azepanone

Downstream raw materials:

adipamide

hexanedioic acid dimethyl ester

Refernces