Tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate

Base Information

• Chemical Name: Tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate
• CAS No.: 5183-02-8
• Molecular Formula: C22H36N2O10
• Molecular Weight: 488.5286
• NSC Number: 157954
• DSSTox Substance ID: DTXSID60303347
• Wikidata: Q82048566
• ChEMBL ID: CHEMBL1409317
• Mol file: 5183-02-8.mol

Synonyms:5183-02-8;tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate;NSC157954;MLS001030098;CHEMBL1409317;DTXSID60303347;HMS2798L14;STK540106;AKOS005470211;NSC-157954;SMR000425585;tetraethyl 1,6-bis(acetylamino)hexane-1,1,6,6-tetracarboxylate;2,7-Bis-acetylamino-2,7-bis-ethoxycarbonyl-octanedioic acid diethyl ester

Chemical Property of Tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate

Chemical Property:

• Vapor Pressure: 3.56E-17mmHg at 25°C
• Boiling Point: 657.7°C at 760 mmHg
• Flash Point: 351.6°C
• Density: 1.169g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 488.23699535
• Heavy Atom Count: 34
• Complexity: 652

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)(C(=O)OCC)NC(=O)C

Technology Process of Tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate

There total 4 articles about Tetraethyl 1,6-diacetamidohexane-1,1,6,6-tetracarboxylate 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: 63.0%

1,4-dibromo-butane (110-52-1) + sodium diethyl (acetylamino)malonate (30412-43-2) → bis(acetamidoethylmalonyl)-1,4 butane (5183-02-8) + 6-bromo-2-acetamido-2-ethoxycarbonyl-hexanoic acid ethyl ester (5183-27-7)

Guidance literature:

In ethanol; Heating;

DOI:10.1007/BF01168093

Reference yield: 60.0%

1,4-dibromo-butane (110-52-1) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → bis(acetamidoethylmalonyl)-1,4 butane (5183-02-8) + 6-bromo-2-acetamido-2-ethoxycarbonyl-hexanoic acid ethyl ester (5183-27-7)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In acetonitrile; for 15h; Heating;

Reference yield:

1,4-dibromo-butane (110-52-1) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → bis(acetamidoethylmalonyl)-1,4 butane (5183-02-8)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

1,4-dibromo-butane

2-acetylaminomalonic acid diethyl ester

sodium diethylacetamidomalonate

sodium diethyl (acetylamino)malonate

Downstream raw materials:

2,7-diaminooctanedioic acid

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