Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Base Information

Chemical Name:Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-
CAS No.:125173-77-5
Molecular Formula:C28H30 Cl2 N4 O
Molecular Weight:509.47
Hs Code.:
DSSTox Substance ID:DTXSID00154698
Nikkaji Number:J291.806D
Wikidata:Q83022002
ChEMBL ID:CHEMBL18038
Mol file:125173-77-5.mol

Synonyms:125173-77-5;Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-;5-(acridin-9-ylamino)-N-[4-[bis(2-chloroethyl)amino]phenyl]pentanamide;5-(9-Acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)pentanamide;CHEMBL18038;DTXSID00154698

Suppliers and Price of Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-

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 3 raw suppliers

Chemical Property of Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Chemical Property:

Vapor Pressure:3.98E-23mmHg at 25°C
Boiling Point:762.1°Cat760mmHg
Flash Point:414.7°C
PSA：60.49000
Density:1.302g/cm³
LogP:6.38780
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:508.1796670
Heavy Atom Count:35
Complexity:602

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCC(=O)NC4=CC=C(C=C4)N(CCCl)CCCl

Technology Process of Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)-

There total 5 articles about Pentanamide, 5-(9-acridinylamino)-N-(4-(bis(2-chloroethyl)amino)phenyl)- 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: 75.0%

: 10228-90-7
9-methoxyacridine

: 125174-10-9
5-Amino-pentanoic acid {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-amide

: 125173-77-5
5-(Acridin-9-ylamino)-pentanoic acid {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-amide

Guidance literature:: In methanol; at 20 ℃; for 24h;
DOI:10.1021/jm00166a015

Reference yield:

: 23135-50-4
5-(N-benzyloxycarbonylamino)pentanoic acid

: 125173-77-5
5-(Acridin-9-ylamino)-pentanoic acid {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-amide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) 1,1'-carbonyldiimidazole / 1.) DMF, 40 deg C, 30 min, 2.) 20 deg C, 10 h

2: 25 percent / SOCl₂ / 1,2-dichloro-ethane / 0.5 h / Heating

3: HBr/AcOH / 4 h / 20 °C

4: 75 percent / methanol / 24 h / 20 °C

With thionyl chloride; hydrogen bromide; acetic acid; 1,1'-carbonyldiimidazole; In methanol; 1,2-dichloro-ethane;
DOI:10.1021/jm00166a015

Reference yield:

: 7575-35-1
N,N-bis(2-hydroxyethyl)-4-aminoaniline

: 125173-77-5
5-(Acridin-9-ylamino)-pentanoic acid {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-amide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) 1,1'-carbonyldiimidazole / 1.) DMF, 40 deg C, 30 min, 2.) 20 deg C, 10 h

2: 25 percent / SOCl₂ / 1,2-dichloro-ethane / 0.5 h / Heating

3: HBr/AcOH / 4 h / 20 °C

4: 75 percent / methanol / 24 h / 20 °C

With thionyl chloride; hydrogen bromide; acetic acid; 1,1'-carbonyldiimidazole; In methanol; 1,2-dichloro-ethane;
DOI:10.1021/jm00166a015