(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester

Base Information

Chemical Name:(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester
CAS No.:125659-89-4
Molecular Formula:C14H16 N4 O6
Molecular Weight:0
Hs Code.:
NSC Number:306228
DSSTox Substance ID:DTXSID70154842
Wikidata:Q83022191
Mol file:125659-89-4.mol

Synonyms:125659-89-4;(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester;methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate;(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbam ic acid, dimethyl ester;NSC306228;DTXSID70154842;NSC-306228;Carbamic acid,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, dimethyl ester

Suppliers and Price of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester

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 (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester

Chemical Property:

Vapor Pressure:3.62E-08mmHg at 25°C
Boiling Point:446.5°Cat760mmHg
Flash Point:223.8°C
PSA：123.80000
Density:1.54g/cm³
LogP:-0.81080
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:336.10698424
Heavy Atom Count:24
Complexity:642

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC)N3CC3

Technology Process of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester

There total 4 articles about (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester 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: 78.0%

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

: 24118-24-9
2,5-dichloro-3,6-bis(methoxycarbonylamino)-1,4-benzoquinone

: 125659-89-4
(2,5-Bis-aziridin-1-yl-4-methoxycarbonylamino-3,6-dioxo-cyclohexa-1,4-dienyl)-carbamic acid methyl ester

Guidance literature:: With triethylamine; In tetrahydrofuran; for 10h; Ambient temperature;
DOI:10.1055/s-1989-27348

Reference yield:

: 3908-48-3
2,5-diamino-3,6-dichloro-1,4-benzoquinone

: 125659-89-4
(2,5-Bis-aziridin-1-yl-4-methoxycarbonylamino-3,6-dioxo-cyclohexa-1,4-dienyl)-carbamic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: Na₂S₂O₄ / H₂O; cyclohexane / 0.33 h / 25 °C

2: H₂O; cyclohexane / 4 h / 25 °C

3: FeCl₃, aq. HCl / 3 h / 25 °C

4: 78 percent / Et₃N / tetrahydrofuran / 10 h / Ambient temperature

With hydrogenchloride; sodium dithionite; iron(III) chloride; triethylamine; In tetrahydrofuran; cyclohexane; water;
DOI:10.1055/s-1989-27348

Reference yield:

: 24118-25-0
3,6-diamino-2,5-dichloro-1,4-hydroquinone

: 125659-89-4
(2,5-Bis-aziridin-1-yl-4-methoxycarbonylamino-3,6-dioxo-cyclohexa-1,4-dienyl)-carbamic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: H₂O; cyclohexane / 4 h / 25 °C

2: FeCl₃, aq. HCl / 3 h / 25 °C

3: 78 percent / Et₃N / tetrahydrofuran / 10 h / Ambient temperature

With hydrogenchloride; iron(III) chloride; triethylamine; In tetrahydrofuran; cyclohexane; water;
DOI:10.1055/s-1989-27348