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

Base Information

Chemical Name:2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylic acid
CAS No.:126101-07-3
Molecular Formula:C₇H₈N₂O₄
Molecular Weight:184.152
Hs Code.:
DSSTox Substance ID:DTXSID20925408
Nikkaji Number:J569.490F
ChEMBL ID:CHEMBL335008
Mol file:126101-07-3.mol

Synonyms:126101-07-3;2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylic acid;Tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxylic acid;1H-Pyrrolo(1,2-a)imidazole-7a(5H)-carboxylic acid, tetrahydro-2,5-dioxo-;2,5-Dioxohexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylic acid;C7H8N3O4;CHEMBL335008;SCHEMBL9597505;DTXSID20925408;IOUXCPKBPUCKMJ-UHFFFAOYSA-N;C7-H8-N3-O4;2,5-dioxotetrahydro-1H-pyrrolo[1,2-a]imidazole-7a(5H)-carboxylic acid;LS-139354;2,5-Dioxotetrahydro-1H-pyrrolo[1,2-a]imidazole-7a(7H)-carboxylic acid;2-Hydroxy-5-oxo-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-7a(5H)-carboxylic acid

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

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
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price

Total 1 raw suppliers

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

Chemical Property:

Vapor Pressure:1.14E-16mmHg at 25°C
Boiling Point:614.2°Cat760mmHg
Flash Point:325.3°C
Density:1.66g/cm³
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:184.04840674
Heavy Atom Count:13
Complexity:314

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 2 articles about 2,5-Dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylic acid 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:

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

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

Guidance literature:: With hydrogenchloride; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; Yield given. Multistep reaction; 1.) acetonitrile, reflux, 4 h, 2.) methanol, 10 min;
DOI:10.1021/jm00078a011

Reference yield:

: 328-50-7
α-ketoglutaric acid

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

Guidance literature:: Multi-step reaction with 2 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

With hydrogenchloride; sodium hydroxide; chloro-trimethyl-silane; 1,1,1,3,3,3-hexamethyl-disilazane; In water;
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