p-(Bis(2-chloroethyl)amino)phenol laurate

Base Information

• Chemical Name: p-(Bis(2-chloroethyl)amino)phenol laurate
• CAS No.: 83626-92-0
• Molecular Formula: C₂₂H₃₅Cl₂NO₂
• Molecular Weight: 416.431
• DSSTox Substance ID: DTXSID10232471
• Wikidata: Q83113517
• Mol file: 83626-92-0.mol

Synonyms:p-(Bis(2-chloroethyl)amino)phenol laurate;Phenol, p-(bis(2-chloroethyl)amino)-, laurate (ester);83626-92-0;DTXSID10232471;LS-104046

Chemical Property of p-(Bis(2-chloroethyl)amino)phenol laurate

Chemical Property:

• Vapor Pressure: 1.16E-10mmHg at 25°C
• Boiling Point: 513.7°C at 760 mmHg
• Flash Point: 264.5°C
• Density: 1.079g/cm³
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 415.2044847
• Heavy Atom Count: 27
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Technology Process of p-(Bis(2-chloroethyl)amino)phenol laurate

There total 5 articles about p-(Bis(2-chloroethyl)amino)phenol laurate 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: 53.0%

Dodecanoic acid 4-[bis-(2-hydroxy-ethyl)-amino]-phenyl ester (83626-86-2) → Dodecanoic acid 4-[bis-(2-chloro-ethyl)-amino]-phenyl ester (83626-92-0)

Guidance literature:

With thionyl chloride; In ethanol; chloroform; for 24h; Ambient temperature;

DOI:10.1002/jps.2600710713

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → Dodecanoic acid 4-[bis-(2-chloro-ethyl)-amino]-phenyl ester (83626-92-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 85 percent / dioxane; pyridine / 2 h / Ambient temperature

2: 55 percent / hydrogen / platinum oxide / ethanol

3: 44 percent / methanol / 0 °C

4: 53 percent / thionyl chloride / CHCl₃; ethanol / 24 h / Ambient temperature

With thionyl chloride; hydrogen; platinum(IV) oxide; In 1,4-dioxane; pyridine; methanol; ethanol; chloroform;

DOI:10.1002/jps.2600710713

Reference yield:

p-Nitrophenyl laurate (1956-11-2) → Dodecanoic acid 4-[bis-(2-chloro-ethyl)-amino]-phenyl ester (83626-92-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 55 percent / hydrogen / platinum oxide / ethanol

2: 44 percent / methanol / 0 °C

3: 53 percent / thionyl chloride / CHCl₃; ethanol / 24 h / Ambient temperature

With thionyl chloride; hydrogen; platinum(IV) oxide; In methanol; ethanol; chloroform;

DOI:10.1002/jps.2600710713

upstream raw materials:

Dodecanoic acid 4-[bis-(2-hydroxy-ethyl)-amino]-phenyl ester

n-dodecanoyl chloride

4-nitro-phenol

p-Nitrophenyl laurate

Refernces