Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate

Base Information

Chemical Name:Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate
CAS No.:126101-08-4
Molecular Formula:C₉H₁₂N₂O₄
Molecular Weight:212.205
Hs Code.:
DSSTox Substance ID:DTXSID80925409
Nikkaji Number:J569.491D
ChEMBL ID:CHEMBL132093
Mol file:126101-08-4.mol

Synonyms:126101-08-4;Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate;Ethyl tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxylate;ethyl 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylate;1H-Pyrrolo(1,2-a)imidazole-7a(5H)-carboxylic acid, tetrahydro-2,5-dioxo-, ethyl ester;Ethyl tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxyla te;CHEMBL132093;SCHEMBL9598620;DTXSID80925409;NMTFYGSVZJZCNA-UHFFFAOYSA-N;LS-139355;2,5-Dioxotetrahydro-1H-pyrrolo[1,2-a]imidazole-7a(7H)-carboxylic acid ethyl ester;Ethyl 2-hydroxy-5-oxo-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-7a(5H)-carboxylate

Suppliers and Price of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate

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
ETHYL TETRAHYDRO-2,5-DIOXO-1H-PYRROLO(1,2-A)IMIDAZOLE-7A(5H)-CARBOXYLA TE 95.00%
5MG
$ 495.69

Total 3 raw suppliers

Chemical Property of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate

Chemical Property:

Vapor Pressure:1.47E-08mmHg at 25°C
Boiling Point:457.6°Cat760mmHg
PKA:12.56±0.40(Predicted)
Flash Point:230.5°C
PSA：79.20000
Density:1.39g/cm³
LogP:-0.78820
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:212.07970687
Heavy Atom Count:15
Complexity:341

Purity/Quality:

99% ^*data from raw suppliers

ETHYL TETRAHYDRO-2,5-DIOXO-1H-PYRROLO(1,2-A)IMIDAZOLE-7A(5H)-CARBOXYLA TE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C12CCC(=O)N1CC(=O)N2

Technology Process of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate

There total 5 articles about Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate 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:

: 328-50-7
α-ketoglutaric acid

: 126101-08-4
ethyl 2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 43 percent / NaOH / H₂O / 4 h / Heating

2: 1.) hexamethyldisilazane, trimethylchlorosilane, 2.) conc. HCl / 1.) acetonitrile, reflux, 4 h, 2.) methanol, 10 min

3: oxalyl chloride, DMF / 2 h / 0 °C

4: 4-(dimethylamino)pyridine / a) 0 deg C 30 min, b) RT, 30 min

With hydrogenchloride; dmap; sodium hydroxide; chloro-trimethyl-silane; oxalyl dichloride; N,N-dimethyl-formamide; 1,1,1,3,3,3-hexamethyl-disilazane; In water;
DOI:10.1021/jm00078a011

Reference yield:

: 126101-23-3
2-carboxy-4-oxo-2-imidazolidinepropanoic acid

: 126101-08-4
ethyl 2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) hexamethyldisilazane, trimethylchlorosilane, 2.) conc. HCl / 1.) acetonitrile, reflux, 4 h, 2.) methanol, 10 min

2: oxalyl chloride, DMF / 2 h / 0 °C

3: 4-(dimethylamino)pyridine / a) 0 deg C 30 min, b) RT, 30 min

With hydrogenchloride; dmap; chloro-trimethyl-silane; oxalyl dichloride; N,N-dimethyl-formamide; 1,1,1,3,3,3-hexamethyl-disilazane;
DOI:10.1021/jm00078a011

Reference yield:

: 126101-07-3
2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylic acid

: 126101-08-4
ethyl 2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride, DMF / 2 h / 0 °C

2: 4-(dimethylamino)pyridine / a) 0 deg C 30 min, b) RT, 30 min

With dmap; oxalyl dichloride; N,N-dimethyl-formamide;
DOI:10.1021/jm00078a011