Sebacanilide

Base Information

• Chemical Name: Sebacanilide
• CAS No.: 6833-06-3
• Molecular Formula: C22H28 N2 O2
• Molecular Weight: 352.477
• European Community (EC) Number: 229-910-8
• NSC Number: 404808
• UNII: HB9HBR6W4Q
• DSSTox Substance ID: DTXSID30218474
• Nikkaji Number: J298.132G
• Wikidata: Q83095351
• Mol file: 6833-06-3.mol

Synonyms:Sebacanilide;6833-06-3;NSC-404808;n,n'-diphenyldecanediamide;Decanedianilide;NSC404808;Sebacic acid dianilide;HB9HBR6W4Q;N1,N10-Diphenyldecanediamide;Decanediamide, N,N'-diphenyl-;SCHEMBL6665592;DTXSID30218474;Decanediamide, N1,N10-diphenyl-;EINECS 229-910-8;AKOS003495098;NSC 404808

Chemical Property of Sebacanilide

Chemical Property:

• Vapor Pressure: 8.46E-15mmHg at 25°C
• Boiling Point: 609.5°C at 760 mmHg
• Flash Point: 200.2°C
• PSA: 58.20000
• Density: 1.117g/cm³
• LogP: 5.53060
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 352.215078140
• Heavy Atom Count: 26
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Amides, Other
• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=CC=C2

Technology Process of Sebacanilide

There total 9 articles about Sebacanilide 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: 52.0%

→ N1,N10-diphenyldecanediamide (6833-06-3)

Guidance literature:

With iron(III) chloride; In tetrahydrofuran;

DOI:10.1016/0022-328X(86)80252-2

Reference yield:

1,10-decanedioic acid (111-20-6,26776-29-4) → N1,N10-diphenyldecanediamide (6833-06-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran

With triethylamine; In tetrahydrofuran;

DOI:10.1021/jo01033a055

Reference yield:

aniline (62-53-3) → 9-(phenylcarbamoyl)nonanoic acid (61797-98-6) + N1,N10-diphenyldecanediamide (6833-06-3)

Guidance literature:

DOI:10.1021/ja01343a050

upstream raw materials:

1,10-decanedioic acid

phenyl isocyanate

phenyl isothiocyanate

aniline

Downstream raw materials:

decanedioic acid bis[(4-nitrophenyl)amide]

Refernces

• 1、 Liang, Fengying,Eda, Kazuo,Okazoe, Takashi,Wada, Akihiro,Mori, Nobuaki,Konishi, Katsuhiko,Tsuda, Akihiko. "Photo-on-Demand Synthesis of Vilsmeier Reagents with Chloroform and Their Applications to One-Pot Organic Syntheses". . p. 6504 - 6517. Retrieved 2021/05/06.