2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide

Base Information

Chemical Name:2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide
CAS No.:126101-09-5
Molecular Formula:C₇H₉N₃O₃
Molecular Weight:183.167
Hs Code.:
DSSTox Substance ID:DTXSID90925410
Nikkaji Number:J569.492B
ChEMBL ID:CHEMBL336064
Mol file:126101-09-5.mol

Synonyms:126101-09-5;2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide;Tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxamide;1H-Pyrrolo(1,2-a)imidazole-7a(5H)-carboxamide, tetrahydro-2,5-dioxo-;CHEMBL336064;SCHEMBL9597990;DTXSID90925410;AKOS006273710;LS-139351;2,5-dioxotetrahydro-1H-pyrrolo[1,2-a]imidazole-7a(5H)-carboxamide;2,5-Dioxotetrahydro-1H-pyrrolo[1,2-a]imidazole-7a(7H)-carboxamide;2-Hydroxy-5-oxo-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-7a(5H)-carboximidic acid

Suppliers and Price of 2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide

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
2,5-DIOXOHEXAHYDRO-1H-PYRROLO(1,2-A)IMIDAZOLE-7A-CARBOXAMIDE 95.00%
5MG
$ 499.27

Total 2 raw suppliers

Chemical Property of 2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide

Chemical Property:

Vapor Pressure:7.5E-18mmHg at 25°C
Boiling Point:670.7°Cat760mmHg
Flash Point:359.4°C
PSA：96.98000
Density:1.56g/cm³
LogP:-0.71630
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:183.06439116
Heavy Atom Count:13
Complexity:314

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2,5-DIOXOHEXAHYDRO-1H-PYRROLO(1,2-A)IMIDAZOLE-7A-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2(NC(=O)CN2C1=O)C(=O)N

Technology Process of 2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide

There total 6 articles about 2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxamide 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: 77.0%

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

: 126101-09-5
2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxamide

Guidance literature:: With ammonia; In methanol; at 0 ℃; for 1h;
DOI:10.1021/jm00078a011

Reference yield:

: 328-50-7
α-ketoglutaric acid

: 126101-09-5
2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxamide

Guidance literature:: Multi-step reaction with 5 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

5: 77 percent / NH₃ / methanol / 1 h / 0 °C

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

Reference yield:

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

: 126101-09-5
2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxamide

Guidance literature:: Multi-step reaction with 4 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

4: 77 percent / NH₃ / methanol / 1 h / 0 °C

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