2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone

Base Information

Chemical Name:2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone
CAS No.:925206-65-1
Molecular Formula:C5H6BrN3O5
Molecular Weight:268.024
Hs Code.:
UNII:7RPW6SU9SC
ChEMBL ID:CHEMBL3526802
Metabolomics Workbench ID:153116
NCI Thesaurus Code:C97130
Wikidata:Q27268765
Mol file:925206-65-1.mol

Synonyms:14C-RRx-001;RRx-001

Suppliers and Price of 2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone

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

DC Chemicals
RRx-001 >98%
1 g
$ 1600.00

DC Chemicals
RRx-001 >98%
250 mg
$ 780.00

Crysdot
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one 95%
50mg
$ 743.00

Crysdot
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one 95%
5mg
$ 119.00

Crysdot
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one 95%
10mg
$ 188.00

Crysdot
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one 95%
100mg
$ 1286.00

ChemScene
RRx-001 99.71%
50mg
$ 900.00

ChemScene
RRx-001 99.71%
10mg
$ 228.00

ChemScene
RRx-001 99.71%
5mg
$ 144.00

ChemScene
RRx-001 99.71%
100mg
$ 1560.00

Total 23 raw suppliers

Chemical Property of 2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone

Chemical Property:

Boiling Point:473.0±45.0 °C(Predicted)
PKA:-2.07±0.20(Predicted)
PSA：111.95000
Density:1.98±0.1 g/cm3(Predicted)
LogP:0.45750
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:266.94908
Heavy Atom Count:14
Complexity:273

Purity/Quality:

99%, ^*data from raw suppliers

RRx-001 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
Recent ClinicalTrials:A Phase 3, Controlled, Open-label, Global Randomized Study of RRx-001 With a Platinum Doublet or a Platinum Doublet in Small Cell Lung Cancer

Technology Process of 2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone

There total 3 articles about 2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone 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: 81.0%

: 125735-38-8
N-tert-butyl-3,3-dinitroazetidine

: 598-21-0
2-Bromoacetyl bromide

: 925206-65-1
[14C]-Rrx-001

: 1-tert-butyl-3,3-dinitroazetidine hydrobromide

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; for 6h; Reflux; Inert atmosphere; Sealed tube;

Reference yield: 81.0%

: 125735-38-8
N-tert-butyl-3,3-dinitroazetidine

: 598-21-0
2-Bromoacetyl bromide

: 925206-65-1
[14C]-Rrx-001

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; for 6h; Inert atmosphere; Reflux;
DOI:10.1021/op2003216

Reference yield:

: 598-21-0
2-Bromoacetyl bromide

: 925206-65-1
[14C]-Rrx-001

: 1-tert-butyl-3,3-dinitroazetidine hydrobromide

Guidance literature:: N-tert-butyl-3,3-dinitroazetidine; With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 0.0833333h;

2-Bromoacetyl bromide; In dichloromethane; at 50 - 60 ℃; for 2h; Product distribution / selectivity;