3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione

Base Information

• Chemical Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione
• CAS No.: 1210360-60-3
• Molecular Formula: C33H30F6N4O3
• Molecular Weight: 644.617
• Mol file: 1210360-60-3.mol

Synonyms:3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione

Chemical Property of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione

Chemical Property:

• Boiling Point: 664.4±65.0 °C(Predicted)
• PKA: 9.24±0.70(Predicted)
• PSA: 83.56000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 6.68100

Purity/Quality:

99%+ ^*data from raw suppliers

3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione, 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione

There total 8 articles about 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-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: 76.0%

3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-methoxycyclobut-3-ene-1,2-dione (1073917-05-1) + 9-amino-9-deoxy-epiquinine → 3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-(((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione (1210360-60-3)

Guidance literature:

In methanol; at 20 ℃; for 24h;

DOI:10.1039/c3ob42026d

Reference yield: 54.0%

3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-methoxycyclobut-3-ene-1,2-dione (1073917-05-1) + 9-amino-9-deoxy-epiquinine → 3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-(((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione (1210360-60-3)

Guidance literature:

at 25 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201702459

Reference yield:

3,5-bis-trifluoromethylbenzylamine (85068-29-7) → 3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-(((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione (1210360-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 48 h / 20 °C

2: methanol / 24 h / 20 °C

In methanol; dichloromethane;

DOI:10.1021/jacs.7b09124

upstream raw materials:

3-((3,5-bis(trifluoromethyl)benzyl)amino)-4-methoxycyclobut-3-ene-1,2-dione

3,4-dimethoxy-3-cyclobutene-1,2-dione

3,5-bis-trifluoromethylbenzylamine

(8S,9S)-9-azido-(9-deoxy)epiquinine