N-[4-(Dimethylamino)phenyl]stearamide

Base Information

• Chemical Name: N-[4-(Dimethylamino)phenyl]stearamide
• CAS No.: 13279-06-6
• Molecular Formula: C26H46 N2 O
• Molecular Weight: 402.664
• Hs Code.: 2924299090
• European Community (EC) Number: 236-278-7
• DSSTox Substance ID: DTXSID90157799
• Nikkaji Number: J213.803D
• Wikidata: Q83025958
• Mol file: 13279-06-6.mol

Synonyms:N-[4-(DIMETHYLAMINO)PHENYL]STEARAMIDE;13279-06-6;n-[4-(dimethylamino)phenyl]octadecanamide;N-(4-(Dimethylamino)phenyl)stearamide;EINECS 236-278-7;DTXSID90157799

Chemical Property of N-[4-(Dimethylamino)phenyl]stearamide

Chemical Property:

• Vapor Pressure: 2.98E-12mmHg at 25°C
• Boiling Point: 552.5°Cat760mmHg
• Flash Point: 288°C
• PSA: 32.34000
• Density: 0.948g/cm³
• LogP: 8.02560
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 402.361014095
• Heavy Atom Count: 29
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N(C)C

Technology Process of N-[4-(Dimethylamino)phenyl]stearamide

There total 2 articles about N-[4-(Dimethylamino)phenyl]stearamide 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: 21.4%

4-amino-N,N-dimethylaniline (99-98-9) + stearic acid (57-11-4) → stearic acid-(4-dimethylamino-anilide) (13279-06-6)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.11.027

Reference yield:

4-amino-N,N-dimethylaniline (99-98-9) + Stearoyl chloride (112-76-5) → stearic acid-(4-dimethylamino-anilide) (13279-06-6)

Guidance literature:

Reference yield: 36.7%

stearic acid-(4-dimethylamino-anilide) (13279-06-6) + methyl iodide (74-88-4) → C27H49N2O(1+)*I(1-) (1421060-52-7)

Guidance literature:

In acetonitrile; at 20 - 150 ℃; for 7h;

DOI:10.1016/j.bmc.2012.11.027

upstream raw materials:

4-amino-N,N-dimethylaniline

Stearoyl chloride

stearic acid

Downstream raw materials:

C₂₇H₄₉N₂O⁽¹⁺⁾*I^(1-)

Refernces