6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione

Base Information

Chemical Name:6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione
CAS No.:120075-43-6
Molecular Formula:C₁₇H₂₂N₆O₂
Molecular Weight:342.401
Hs Code.:
DSSTox Substance ID:DTXSID50152669
Nikkaji Number:J360.431D
Wikidata:Q83019372
ChEMBL ID:CHEMBL140956
Mol file:120075-43-6.mol

Synonyms:6,7-bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione;ADA-quinazolinedione

Suppliers and Price of 6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione

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

American Custom Chemicals Corporation
6,7-BIS(1-AZIRIDINYL)-4-((3-(N,N-DIMETHYLAMINO)PROPYL)AMINO)-5,8-QUINAZOLINEDIONE 95.00%
5MG
$ 504.63

Total 2 raw suppliers

Chemical Property of 6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione

Chemical Property:

Vapor Pressure:5.96E-12mmHg at 25°C
Boiling Point:545.4°Cat760mmHg
Flash Point:283.6°C
PSA：84.44000
Density:1.465g/cm³
LogP:-0.64030
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:342.18042397
Heavy Atom Count:25
Complexity:596

Purity/Quality:

99% ^*data from raw suppliers

6,7-BIS(1-AZIRIDINYL)-4-((3-(N,N-DIMETHYLAMINO)PROPYL)AMINO)-5,8-QUINAZOLINEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCCNC1=NC=NC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

Technology Process of 6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione

There total 5 articles about 6,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione 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: 35.0%

: 151-56-4,9002-98-6
ethyleneimine

: 120075-57-2
4-(3-Dimethylamino-propylamino)-6-methoxy-quinazoline-5,8-dione

: 120075-43-6
6,7-Bis-aziridin-1-yl-4-(3-dimethylamino-propylamino)-quinazoline-5,8-dione

Guidance literature:: at 0 ℃; for 4.5h;
DOI:10.1021/jm00105a007

Reference yield:

: 120075-53-8
5-(benzyloxy)-4-chloro-6-methoxyquinazoline

: 120075-43-6
6,7-Bis-aziridin-1-yl-4-(3-dimethylamino-propylamino)-quinazoline-5,8-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / NEt₃ / ethanol / 24 h / Ambient temperature

2: 90 percent / H₂ / 10percent Pd/C / dioxane; methanol / 760 Torr / Ambient temperature

3: 51 percent / KH₂PO₄, (KSO₃)2NO / methanol; H₂O / 4 h

4: 35 percent / 4.5 h / 0 °C

With potassium dihydrogenphosphate; potassium nitrososulfonate; hydrogen; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; ethanol; water;
DOI:10.1021/jm00105a007

Reference yield:

: 120075-66-3
N'-(5-Benzyloxy-6-methoxy-quinazolin-4-yl)-N,N-dimethyl-propane-1,3-diamine

: 120075-43-6
6,7-Bis-aziridin-1-yl-4-(3-dimethylamino-propylamino)-quinazoline-5,8-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / H₂ / 10percent Pd/C / dioxane; methanol / 760 Torr / Ambient temperature

2: 51 percent / KH₂PO₄, (KSO₃)2NO / methanol; H₂O / 4 h

3: 35 percent / 4.5 h / 0 °C

With potassium dihydrogenphosphate; potassium nitrososulfonate; hydrogen; palladium on activated charcoal; In 1,4-dioxane; methanol; water;
DOI:10.1021/jm00105a007