Benzenebutanal, 4-[bis(2-chloroethyl)amino]-

Base Information

Chemical Name:Benzenebutanal, 4-[bis(2-chloroethyl)amino]-
CAS No.:64977-05-5
Molecular Formula:C14H19 Cl2 N O
Molecular Weight:288.217
Hs Code.:
NSC Number:138101
DSSTox Substance ID:DTXSID00300653
Wikidata:Q82043902
ChEMBL ID:CHEMBL3247493

Synonyms:64977-05-5;NSC 138101;Benzenebutanal, 4-[bis(2-chloroethyl)amino]-;NSC138101;SCHEMBL2113707;CHEMBL3247493;DTXSID00300653;HUIZMVVIRCIOPG-UHFFFAOYSA-N;NSC-138101;4[4-(N,N-bis(2-chloroethyl)amino)phenyl]butanal

Suppliers and Price of Benzenebutanal, 4-[bis(2-chloroethyl)amino]-

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 Benzenebutanal, 4-[bis(2-chloroethyl)amino]-

Chemical Property:

Vapor Pressure:2.28E-07mmHg at 25°C
Boiling Point:423.2°Cat760mmHg
Flash Point:209.7°C
Density:1.169g/cm³
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:287.0843696
Heavy Atom Count:18
Complexity:212

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCCC=O)N(CCCl)CCCl

Technology Process of Benzenebutanal, 4-[bis(2-chloroethyl)amino]-

There total 3 articles about Benzenebutanal, 4-[bis(2-chloroethyl)amino]- 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: 73.0%

: 305-03-3
chlorambucil

: 64977-05-5
4-(4-(N,N-bis(2-chloroethyl)amino)phenyl)butanal

Guidance literature:

Reference yield: 70.0%

: 1256381-57-3
N-methyl-N-methoxy 4-(4-(N,N-bis(2-chloroethyl)amino)phenyl) butanamide

: 64977-05-5
4-(4-(N,N-bis(2-chloroethyl)amino)phenyl)butanal

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.0833333h; Inert atmosphere;
DOI:10.1021/jm101024j

Reference yield:

: 1026679-23-1
N,N-bis(2-chloroethyl)-4-(4-hydroxybutyl)aniline

: 64977-05-5
4-(4-(N,N-bis(2-chloroethyl)amino)phenyl)butanal

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; Yield given. Multistep reaction; 1.) THF, -78 deg C, 15 min, 2.) THF, from -78 deg C to RT;
DOI:10.1021/jm00051a010