(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

Base Information

Chemical Name:(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CAS No.:770746-47-9
Molecular Formula:C₆H₈N₂O₂
Molecular Weight:140.142
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70461149
Nikkaji Number:J1.772.222K
Wikidata:Q82285405
Mol file:770746-47-9.mol

Synonyms:770746-47-9;(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione;2,4-diazabicyclo[4.2.0]octane-3,5-dione;GD-0711;DTXSID70461149;MFCD12827807;AKOS005072900;J-500375

Suppliers and Price of (1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

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

Matrix Scientific
2,4-Diazabicyclo[4.2.0]octane-3,5-dione >95%
500mg
$ 721.00

American Custom Chemicals Corporation
2,4-DIAZABICYCLO[4.2.0]OCTANE-3,5-DIONE 95.00%
500MG
$ 1003.58

AK Scientific
2,4-Diazabicyclo[4.2.0]octane-3,5-dione
500mg
$ 1023.00

Total 2 raw suppliers

Chemical Property of (1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

Chemical Property:

Melting Point:248-249°
PSA：65.18000
LogP:-0.47970
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:140.058577502
Heavy Atom Count:10
Complexity:202

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Diazabicyclo[4.2.0]octane-3,5-dione >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2C1C(=O)NC(=O)N2
Isomeric SMILES:C1C[C@@H]2[C@H]1C(=O)NC(=O)N2

Technology Process of (1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

There total 2 articles about (1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione 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: 83.0%

: 770746-45-7
(-)-(1R,6S)-2-[(1S)-1-phenylethyl]-2,4-diazabicyclo[4.2.0]octane-3,5-dione

: 770746-47-9
(+)-(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

Guidance literature:: With formic acid; Heating;
DOI:10.1016/j.tetlet.2004.07.110

Reference yield:

: 770746-43-5
(-)-(1R,5aS,7aR)-1-phenyl-1,2,5a,6,7,7a-hexahydro-5H-cyclobuta[e][1,3]oxazolo[3,2-a]pyrimidin-5-one

: 770746-47-9
(+)-(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / H₂ / 10percent Pd-C / ethanol / 20 °C

2: 83 percent / HCOOH / Heating

With formic acid; hydrogen; 10percent Pd-C; In ethanol;
DOI:10.1016/j.tetlet.2004.07.110

Reference yield: 83.0%

: 770746-47-9
(+)-(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione

: 648433-09-4,84585-76-2,84585-77-3,951173-26-5
(+)-(1S,2R)-2-aminocyclobutane-1-carboxylic acid

Guidance literature:: (+)-(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione; With sodium hydroxide; at 20 ℃;

With hydrogenchloride; sodium nitrite; at 20 ℃; Further stages.;
DOI:10.1016/j.tetlet.2004.07.110