Acetamide, N,N'-1,3-propanediylbis[2-cyano-

Base Information

• Chemical Name: Acetamide, N,N'-1,3-propanediylbis[2-cyano-
• CAS No.: 111233-69-3
• Molecular Formula: C9H12N4O2
• Molecular Weight: 208.22
• DSSTox Substance ID: DTXSID10393617
• Wikidata: Q82192432
• Mol file: 111233-69-3.mol

Synonyms:111233-69-3;Acetamide, N,N'-1,3-propanediylbis[2-cyano-;2-cyano-N-[3-[(2-cyanoacetyl)amino]propyl]acetamide;N,N'-(Propane-1,3-diyl)bis(2-cyanoacetamide);2-cyano-N-[3-(2-cyanoacetamido)propyl]acetamide;N,N'-propane-1,3-diylbis(2-cyanoacetamide);SCHEMBL3911970;DTXSID10393617;FCDOFDSBMDJTFN-UHFFFAOYSA-N;MFCD03400571;STL134845;AKOS003876384;BS-3655;CS-0329621;2-cyano-n-[3-(2-cyanoacetylamino)propyl]-acetamide

Chemical Property of Acetamide, N,N'-1,3-propanediylbis[2-cyano-

Chemical Property:

• PSA: 112.76000
• LogP: 1.11686
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 208.09602564
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-N-[3-(2-cyanoacetamido)propyl]acetamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNC(=O)CC#N)CNC(=O)CC#N

Technology Process of Acetamide, N,N'-1,3-propanediylbis[2-cyano-

There total 2 articles about Acetamide, N,N'-1,3-propanediylbis[2-cyano- 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: 100.0%

Trimethylenediamine (109-76-2,54018-94-9) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-N-[3-(2-cyanoacetylamino)propyl]acetamide (111233-69-3)

Guidance literature:

DOI:10.1039/b802822b

Reference yield: 81.0%

Trimethylenediamine (109-76-2,54018-94-9) + methyl 2-cyanoacetate (105-34-0) → 2-cyano-N-[3-(2-cyanoacetylamino)propyl]acetamide (111233-69-3)

Guidance literature:

at 20 ℃; for 2h;

DOI:10.1021/jm040208l DOI:10.1071/CH04143

Reference yield: 93.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + 2-cyano-N-[3-(2-cyanoacetylamino)propyl]acetamide (111233-69-3) → (E)-2-Cyano-N-{3-[(E)-2-cyano-3-(3,4-dimethoxy-phenyl)-acryloylamino]-propyl}-3-(3,4-dimethoxy-phenyl)-acrylamide

Guidance literature:

With piperidine; In ethanol; for 2h; Heating;

DOI:10.1021/jm040208l

upstream raw materials:

Trimethylenediamine

methyl 2-cyanoacetate

ethyl 2-cyanoacetate

Downstream raw materials:

2-cyano-N-{3-[2-cyano-3-(3,4,5-trihydroxyphenyl)-acryloylamino]propyl}-3-(3,4,5-trihydroxyphenyl)-acrylamide