2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Base Information

• Chemical Name: 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one
• CAS No.: 1313361-25-9
• Molecular Formula: C₃₄H₄₂ClN₃O₃
• Molecular Weight: 576.179
• Mol file: 1313361-25-9.mol

Synonyms:2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Chemical Property of 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

There total 3 articles about 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 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: 66.0%

{4-[({4-[7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-3-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-methyl-amino)-methyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester (1313365-39-7) → 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one (1313361-25-9)

Guidance literature:

{4-[({4-[7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-3-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-methyl-amino)-methyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

With sodium carbonate; In water; ethyl acetate;

Reference yield:

7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one (1313365-33-1) → 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one (1313361-25-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid; iron / ethyl acetate; water / 1 h / 80 °C / Sealed flask

1.2: pH 7

2.1: acetic acid; sodium tris(acetoxy)borohydride / dichloromethane; methanol / 1 h / 20 °C

2.3: 1 h / 20 °C

3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C

With sodium tris(acetoxy)borohydride; iron; acetic acid; trifluoroacetic acid; In methanol; dichloromethane; water; ethyl acetate;

Reference yield:

2-(4-Amino-phenyl)-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one (1313365-34-2) → 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one (1313361-25-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid; sodium tris(acetoxy)borohydride / dichloromethane; methanol / 1 h / 20 °C

1.3: 1 h / 20 °C

2.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C

With sodium tris(acetoxy)borohydride; acetic acid; trifluoroacetic acid; In methanol; dichloromethane;

upstream raw materials:

7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one

2-(4-Amino-phenyl)-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one

{4-[({4-[7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-3-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-methyl-amino)-methyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester