1,2-Ethylenebisheptanamide

Base Information

• Chemical Name: 1,2-Ethylenebisheptanamide
• CAS No.: 54535-61-4
• Molecular Formula: C16H32N2O2
• Molecular Weight: 284.44
• NSC Number: 138533
• DSSTox Substance ID: DTXSID80969762
• Nikkaji Number: J111.688F
• Wikidata: Q82952797
• Mol file: 54535-61-4.mol

Synonyms:54535-61-4;1,2-Ethylenebisheptanamide;NSC138533;SCHEMBL14577116;DTXSID80969762;AKOS003886566;NSC-138533;N,N'-(Ethane-1,2-diyl)diheptanimidic acid

Chemical Property of 1,2-Ethylenebisheptanamide

Chemical Property:

• Boiling Point: 500.5oC at 760 mmHg
• Flash Point: 168.8oC
• PSA: 58.20000
• Density: 0.934g/cm3
• LogP: 3.94140
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 284.246378268
• Heavy Atom Count: 20
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)NCCNC(=O)CCCCCC

Technology Process of 1,2-Ethylenebisheptanamide

There total 3 articles about 1,2-Ethylenebisheptanamide 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:

ethylenediamine (107-15-3,85404-18-8) + Heptanoic acid chloride (2528-61-2) → N,N’?(ethane?1,2?diyl)bis(heptylamide) (54535-61-4)

Guidance literature:

With triethylamine; In methanol; chloroform; at 0 ℃; Reflux;

DOI:10.1021/ol902282y

Reference yield:

oenanthic acid (111-14-8) → N,N’?(ethane?1,2?diyl)bis(heptylamide) (54535-61-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / tetrahydrofuran / 0.5 h / 20 °C

2: tetrahydrofuran / 0.5 h / 20 °C

With thionyl chloride; In tetrahydrofuran;

DOI:10.1007/s13738-021-02199-8

Reference yield:

→ N,N’?(ethane?1,2?diyl)bis(heptylamide) (54535-61-4)

Guidance literature:

/BRN= 1790532/;

DOI:10.1021/ja01315a030 DOI:10.1021/ja01313a069

upstream raw materials:

ethylenediamine

Heptanoic acid chloride

oenanthic acid

Downstream raw materials:

2-hexylimidazoline

Refernces

• 1、 Coneski, Peter N.,Schoenfisch, Mark H.. "Competitive formation of N-diazeniumdiolates and N-nitrosamines via anaerobic reactions of polyamines with nitric oxide". supporting information; experimental part. p. 5462 - 5465. Retrieved 2010/02/28.