(2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

Base Information

• Chemical Name: (2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
• CAS No.: 877773-30-3
• Molecular Formula: C₁₉H₂₁N₃
• Molecular Weight: 291.396
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID80475333
• Nikkaji Number: J2.273.169F
• Wikidata: Q82305789
• Mol file: 877773-30-3.mol

Synonyms:877773-30-3;(2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole;1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(phenylMethyl)-, (2S,6S)-;(2S,6S)-2,6-Di-benzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole, 95%;1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(phenylMethyl)-,(2S,6S)-;AMY217;SCHEMBL19476048;DTXSID80475333;CS-B0730;J-504663

Chemical Property of (2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

Chemical Property:

• Boiling Point: 436.111 °C at 760 mmHg
• PKA: 10.00±0.70(Predicted)
• Flash Point: 217.553 °C
• PSA: 27.63000
• Density: 1.191 g/cm³
• LogP: 2.18610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 291.173547683
• Heavy Atom Count: 22
• Complexity: 394

Purity/Quality:

97% ^*data from raw suppliers

(2S,6S)-2,6-Di-benzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC2=NC(CN21)CC3=CC=CC=C3)CC4=CC=CC=C4
• Isomeric SMILES: C1[C@@H](NC2=N[C@H](CN21)CC3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of (2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

There total 3 articles about (2S,6S)-2,6-Dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole 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: 84.0%

(S,S)-dimethyl trithiocarbonate (2314-48-9) + (S)-N1-((S)-2-Amino-3-phenyl-propyl)-3-phenyl-propane-1,2-diamine (790627-88-2) → (2S,6S)-2,6-di-Bn-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (877773-30-3)

Guidance literature:

(S,S)-dimethyl trithiocarbonate; (S)-N¹-((S)-2-Amino-3-phenyl-propyl)-3-phenyl-propane-1,2-diamine; In nitromethane; at 110 ℃; for 2h;

With acetic acid; methyl iodide; In nitromethane; at 110 ℃; for 3h;

DOI:10.1016/j.tetlet.2005.11.133

Reference yield:

(S)-N1-((S)-2-amino-3-phenylpropyl)-N1-benzyl-3-phenylpropane-1,2-diamine → (2S,6S)-2,6-di-Bn-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (877773-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: H₂ / Pd/C / methanol

2.1: nitromethane / 2 h / 110 °C

2.2: 84 percent / MeI; acetic acid / nitromethane / 3 h / 110 °C

With hydrogen; palladium on activated charcoal; In methanol; nitromethane;

DOI:10.1016/j.tetlet.2005.11.133

Reference yield:

N-(1-{N'-benzyl-N'-[2-{4-methylbenzenesulfonylamino}-3-phenyl-propyl]aminomethyl}-2-phenyl-ethyl)-4-methylbenzenesulfonamide (460743-52-6) → (2S,6S)-2,6-di-Bn-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (877773-30-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium / liquid ammonia; tetrahydrofuran / -78 °C

2.1: H₂ / Pd/C / methanol

3.1: nitromethane / 2 h / 110 °C

3.2: 84 percent / MeI; acetic acid / nitromethane / 3 h / 110 °C

With hydrogen; sodium; palladium on activated charcoal; In tetrahydrofuran; methanol; nitromethane; ammonia;

DOI:10.1016/j.tetlet.2005.11.133

upstream raw materials:

(S,S)-dimethyl trithiocarbonate

(S)-N¹-((S)-2-Amino-3-phenyl-propyl)-3-phenyl-propane-1,2-diamine

N-(1-{N'-benzyl-N'-[2-{4-methylbenzenesulfonylamino}-3-phenyl-propyl]aminomethyl}-2-phenyl-ethyl)-4-methylbenzenesulfonamide

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