CHIN 3-6

Base Information

• Chemical Name: CHIN 3-6
• CAS No.: 155114-46-8
• Molecular Formula: 2Br*C₄₄H₅₈N₆O₂
• Molecular Weight: 862.792
• Mol file: 155114-46-8.mol

Synonyms:1,6-Hexanediaminium,N,N'-bis[3-(3,4-dihydro-4-oxo-2-phenyl-1(2H)-quinazolinyl)propyl]-N,N,N',N'-tetramethyl-,dibromide (9CI); CHIN 3/6

Chemical Property of CHIN 3-6

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 77.32000
• Density: g/cm³
• LogP: 9.18940

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CHIN 3-6

There total 4 articles about CHIN 3-6 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: 55.0%

N,N,N',N'-tetramethylhexamethylenediamine (111-18-2) + 1-(3-bromopropyl)-2,3-dihydro-2-phenyl-1H-quinazolinone (154963-17-4) → N,N,N',N'-tetramethyl-N,N'-bis<3-(4-oxo-2-phenyl-3,4-dihydro-2H-quinazolin-1-yl)-propyl>-N,N'-hexane-1,6-diyl-bis-ammonium dibromide (155114-46-8)

Guidance literature:

In nitromethane; for 16h; Heating;

DOI:10.1111/j.2042-7158.1994.tb03751.x

Reference yield:

benzaldehyde (100-52-7) → N,N,N',N'-tetramethyl-N,N'-bis<3-(4-oxo-2-phenyl-3,4-dihydro-2H-quinazolin-1-yl)-propyl>-N,N'-hexane-1,6-diyl-bis-ammonium dibromide (155114-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / toluene / 16 h / Heating

2: 55 percent / nitromethane / 16 h / Heating

In nitromethane; toluene;

DOI:10.1111/j.2042-7158.1994.tb03751.x

Reference yield:

anthranilic acid amide (28144-70-9,88-68-6) → N,N,N',N'-tetramethyl-N,N'-bis<3-(4-oxo-2-phenyl-3,4-dihydro-2H-quinazolin-1-yl)-propyl>-N,N'-hexane-1,6-diyl-bis-ammonium dibromide (155114-46-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 40 percent / dimethylformamide / 12 h / Heating

2: 70 percent / toluene / 16 h / Heating

3: 55 percent / nitromethane / 16 h / Heating

In nitromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1111/j.2042-7158.1994.tb03751.x

upstream raw materials:

N,N,N',N'-tetramethylhexamethylenediamine

1-(3-bromopropyl)-2,3-dihydro-2-phenyl-1H-quinazolinone

benzaldehyde

anthranilic acid amide

Refernces