(3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione

Base Information

• Chemical Name: (3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione
• CAS No.: 28092-62-8
• Molecular Formula: C19H18 N2 O3
• Molecular Weight: 322.364
• Hs Code.: 2934999090
• European Community (EC) Number: 248-836-7
• DSSTox Substance ID: DTXSID00182370
• Nikkaji Number: J250.652A
• Wikidata: Q76010144
• Mol file: 28092-62-8.mol

Synonyms:28092-62-8;(3as,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione;56688-82-5;EINECS 248-836-7;(3aS,6aR)-1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione;(3AS,6aR)-1,3-dibenzyltetrahydro-1H-furo(3,4-d)imidazole-2,4-dione;SCHEMBL6021194;DTXSID00182370;cis-1,3-dibenzyl-hexahydrofuro[3,4-d]imidazole-2,4-dione;cis-1,3-dibenzyl-hexahyrofuro[3,4-d]imidazole-2,4-dione;(+)-cis-1,3-dibenzylhexahydrofuro[3,4-d]imidazole-2,4-dione;(+)-cis-1,3-dibenzyl-hexahydrofuro[3,4-d]imidazole-2,4-dione;( 3aS,6aR)-1,3-dibenzylhexahydro-1H-furo[3,4-d]imidazole-2,4-dione;(3abeta,6abeta)-1,3-Dibenzylhexahydro-1H-furo[3,4-d]imidazole-2,4-dione;(3aS,6aR)-1,3-dibenzylhexahydro-1H-furo[3,4-d]imidazole-2,4-dione;(3aS,6aR)-1,3-dibenzyl-dihydro-1H-furo[3,4-d]imidazole-2,4(3H,3aH)-dione;(3aS,6aR)-1,3-dibenzyldihydro-1H-furo[3,4-d]imidazole-2,4(3H,3aH)-dione

Chemical Property of (3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione

Chemical Property:

• Vapor Pressure: 2.46E-13mmHg at 25°C
• Melting Point: 117-119 °C(Solv: ethanol (64-17-5))
• Boiling Point: 577.5°Cat760mmHg
• PKA: -1.33±0.20(Predicted)
• Flash Point: 303.1°C
• PSA: 49.85000
• Density: 1.311g/cm³
• LogP: 2.29420
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 322.13174244
• Heavy Atom Count: 24
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
• Isomeric SMILES: C1[C@H]2[C@@H](C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of (3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione

There total 59 articles about (3As,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-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: 100.0%

(4S,5R)-5-(hydroxymethyl)-2-oxo-N-[(1R)-1-phenylethyl]-1,3-bis(phenylmethyl)-4-imidazolidinecarboxamide → (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (28092-62-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 5h; Reflux;

Reference yield: 98.8%

C34H31N2O6(1-)*C8H20N(1+) → (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (28092-62-8)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water; at 35 - 60 ℃; for 2h;

Reference yield: 98.0%

C19H20N2O4 (157378-76-2) → (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (28092-62-8)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 1h; Reagent/catalyst;

upstream raw materials:

6ξ-acetoxy-1,3-dibenzyl-(3ar,6ac)-tetrahydro-furo[3,4-d]imidazole-2,4-dione

(3aS)-1,3-dibenzyl-6ξ-hydroxy-(3ar,6ac)-tetrahydro-furo[3,4-d]imidazole-2,4-dione

cis 1,3-Dibenzyl-4-hydroxy-2,3,3a,4,6,6a-hexahydro-furo<3,4-d>imidazol-2-one

(4S,5R)-1,3-dibenzyl-1H-furo[3,4-d]imidazole-2,4,6-trione

Downstream raw materials:

cis 4-Butyl-1,3-dibenzyl-4-hydroxy-2,3,3a,4,6,6a-hexahydrofuro<3,4-d>imidazol-2-one

cis 1,3-Dibenzyl-4-hydroxy-2,3,3a,4,6,6a-hexahydro-furo<3,4-d>imidazol-2-one

cis 1,3-Dibenzyl-4-(hex-5'-enyl)-4-hydroxy-2,3,3a,4,6,6a-hexahydrofuro<3,4-d>imidazol-2-one

trans 1,3-Dibenzyl-4-(hept-6'-enoyl)-5-hydroxymethylimidazolidine-2-one