4-[Bis(2-chloroethyl)amino]phenyl acetate

Base Information

Chemical Name:4-[Bis(2-chloroethyl)amino]phenyl acetate
CAS No.:1448-93-7
Molecular Formula:C₁₂H₁₅Cl₂NO₂
Molecular Weight:276.163
Hs Code.:
DSSTox Substance ID:DTXSID80932416
Nikkaji Number:J79.073G
Wikidata:Q82908111
Mol file:1448-93-7.mol

Synonyms:1448-93-7;[4-[bis(2-chloroethyl)amino]phenyl] acetate;Acetic acid 4-[bis(2-chloroethyl)amino]phenyl ester;4-[bis(2-chloroethyl)amino]phenyl acetate;BRN 2655976;p-N,N-Bis(2-chloroethyl)aminophenol acetate ester;Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester);SCHEMBL10686398;DTXSID80932416;p-bis(2-chloroethyl)aminophenyl acetate

Suppliers and Price of 4-[Bis(2-chloroethyl)amino]phenyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 4-[Bis(2-chloroethyl)amino]phenyl acetate

Chemical Property:

Vapor Pressure:2.73E-06mmHg at 25°C
Boiling Point:390.1°Cat760mmHg
Flash Point:189.7°C
PSA：29.54000
Density:1.25g/cm³
LogP:2.89590
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:275.0479841
Heavy Atom Count:17
Complexity:225

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-[Bis(2-chloroethyl)amino]phenyl acetate

There total 3 articles about 4-[Bis(2-chloroethyl)amino]phenyl acetate 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: 32.0%

: 83626-83-9
1-acetoxy-4-[bis-(2-hydroxy-ethyl)-amino]-benzene

: 1448-93-7
Essigsaeure-<4-(N,N-bis-<2-chlor-aethyl>-amino)-phenylester>

Guidance literature:: With thionyl chloride; In ethanol; chloroform; for 24h; Ambient temperature;
DOI:10.1002/jps.2600710713

Reference yield:

: 830-03-5
4-nitrophenol acetate

: 1448-93-7
Essigsaeure-<4-(N,N-bis-<2-chlor-aethyl>-amino)-phenylester>

Guidance literature:: Multi-step reaction with 3 steps

1: 43 percent / hydrogen / platinum oxide / ethanol

2: 52 percent / methanol / 0 °C

3: 32 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

Reference yield:

: 13871-68-6
p-aminophenyl acetate

: 1448-93-7
Essigsaeure-<4-(N,N-bis-<2-chlor-aethyl>-amino)-phenylester>

Guidance literature:: Multi-step reaction with 2 steps

1: 52 percent / methanol / 0 °C

2: 32 percent / thionyl chloride / CHCl₃; ethanol / 24 h / Ambient temperature

With thionyl chloride; In methanol; ethanol; chloroform;
DOI:10.1002/jps.2600710713