Grossularine 1

Base Information

• Chemical Name: Grossularine 1
• CAS No.: 94935-97-4
• Molecular Formula: C₂₃H₁₈N₆O
• Molecular Weight: 394.436
• DSSTox Substance ID: DTXSID70915213
• Wikidata: Q82886130
• Mol file: 94935-97-4.mol

Synonyms:grossularine 1;grossularine-1

Chemical Property of Grossularine 1

Chemical Property:

• Boiling Point: 719.7°Cat760mmHg
• Flash Point: 389.1°C
• PSA: 91.78000
• Density: 1.51g/cm³
• LogP: 2.98220
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 394.15420922
• Heavy Atom Count: 30
• Complexity: 957

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC(=C2N1C3=C4C=CC=CC4=NC3=C2N)C(=O)C5=CNC6=CC=CC=C65

Technology Process of Grossularine 1

There total 7 articles about Grossularine 1 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: 95.0%

{4-[imino-(1H-indol-3-yl)-methyl]-3,6-dihydro-1,3,5,6-tetraaza-cyclopenta[c]fluoren-2-yl}-dimethyl-amine; hydrochloride → grossularine-1 (94935-97-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 80 ℃; for 12h;

DOI:10.1002/anie.200500055

Reference yield:

grossularine-1 hydrochloride → grossularine-1 (94935-97-4)

Guidance literature:

With ammonia; In methanol;

Reference yield:

2-dimethylamino-4-(3-indolyl)imidazole hydrochloride → grossularine-1 (94935-97-4)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₃; air / methanol / 24 h / 23 °C

2: NH₃ / methanol / 120 h

3: 95 percent / aq. HCl / ethanol / 12 h / 80 °C

With hydrogenchloride; air; ammonia; In methanol; ethanol;

DOI:10.1002/anie.200500055

upstream raw materials:

C₂₆H₂₄N₈

<2-(1H-indol-3-yl)-2-oxoethyl> ammonium chloride

Refernces

• 1、 -. "SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE". Page/Page column 6. . Retrieved 2008/06/13.