1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)-

Base Information

• Chemical Name: 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)-
• CAS No.: 153482-89-4
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.266
• DSSTox Substance ID: DTXSID30165338
• Nikkaji Number: J567.592H
• Wikidata: Q76278916
• Mol file: 153482-89-4.mol

Synonyms:153482-89-4;(3R-cis)-Dihydro-3-(phenylmethyl)-1H-pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione;1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)-;(3R,7aR)-3-Benzyldihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione;DTXSID30165338;LS-139367;(3R,7aR)-3beta-Benzyldihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione

Chemical Property of 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)-

Chemical Property:

• Vapor Pressure: 2.71E-10mmHg at 25°C
• Boiling Point: 504.2°C at 760 mmHg
• Flash Point: 258.7°C
• Density: 1.3g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N2C1NC(=O)C2CC3=CC=CC=C3
• Isomeric SMILES: C1CC(=O)N2[C@H]1NC(=O)[C@H]2CC3=CC=CC=C3

Technology Process of 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)-

There total 5 articles about 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(phenylmethyl)-, (3R-cis)- 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: 50.0%

isobutyl (2RS,5S)-5-benzyl-4-oxo-2-imidazolidinepropanoate → (3S)-3-Benzyl-2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole (153482-89-4)

Guidance literature:

In xylene; for 72h; Heating;

DOI:10.1021/jm00078a011

Reference yield: 42.9%

methyl (2RS,5R)-5-benzyl-4-oxo-2-imidazolidinepropanoate → (3R,7aRS)-3-benzyldihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione (153482-89-4)

Guidance literature:

In xylene; for 72h; Heating;

DOI:10.1021/jm00078a011

Reference yield:

(S)-2-amino-3-phenylpropionamide hydrochloride (65864-22-4) → (3S)-3-Benzyl-2,5-dioxohexahydro-1H-pyrrolo[1,2-a]imidazole (153482-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 20 percent / 2N NaOH / various solvent(s) / 2.5 h / Heating; pH 8.2

2: 50 percent / xylene / 72 h / Heating

With sodium hydroxide; In xylene;

DOI:10.1021/jm00078a011

upstream raw materials:

(R)-2-amino-3-phenylpropanamide hydrochloride

(S)-2-amino-3-phenylpropionamide hydrochloride