(3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

Base Information

Chemical Name:(3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CAS No.:19943-27-2
Molecular Formula:C₁₀H₁₄N₂O₂
Molecular Weight:194.233
Hs Code.:
UNII:XGU973420W
DSSTox Substance ID:DTXSID201313224
Nikkaji Number:J272.515K
Wikidata:Q104937470
ChEMBL ID:CHEMBL4473867
Mol file:19943-27-2.mol

Synonyms:cyclo(Pro,Pro);cyclo(Pro-Pro);cyclo(prolylprolyl);octahydro-dipyrrolo(1,2-a-1',2'-d)pyrazine-5,10-dione;proline diketopiperazine

Suppliers and Price of (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-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

Total 9 raw suppliers

Chemical Property of (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

Chemical Property:

Melting Point:240 °C
Boiling Point:413.5±25.0 °C(Predicted)
PKA:-0.85±0.20(Predicted)
Density:1.32±0.1 g/cm3(Predicted)
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:194.105527694
Heavy Atom Count:14
Complexity:273

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2C(=O)N3CCCC3C(=O)N2C1
Isomeric SMILES:C1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1

Technology Process of (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

There total 11 articles about (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-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: 48.7%

: 121252-87-7
N-prolyl>proline

: 598-02-7
Diethyl phosphate

: 19943-27-2
rac-octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione

Guidance literature:: In toluene; at 105 - 110 ℃; for 6h;
DOI:10.1021/jo00277a054

Reference yield: 35.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 609-36-9,25191-13-3,37159-97-0,4305-67-3,4607-28-7
rac-Pro-OH

: (S)-1-Chlorocarbonyl-pyrrolidine-2-carboxylic acid

: 5626-64-2
DL-Pro-NCA

: 19943-27-2
rac-octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione

Guidance literature:: bis(trichloromethyl) carbonate; rac-Pro-OH; In tetrahydrofuran; at 50 ℃; for 1h;

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3h; Title compound not separated from byproducts;
DOI:10.1021/ol0622965