trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid

Base Information

• Chemical Name: trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid
• CAS No.: 945996-95-2
• Molecular Formula: C₂₉H₃₅BClFN₂O₆S
• Molecular Weight: 604.935
• Mol file: 945996-95-2.mol

Synonyms:trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid

Chemical Property of trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid

There total 7 articles about trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid 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: 83.0%

trans-3-{[4-(Boc-methyl-amino)-cyclohexylamino]-methyl}-4-methoxy-benzeneboronic acid (945996-91-8) + 2,3-Dichlor-4-fluor-benzo--thiophen-2-carbonsaeurechlorid (75998-36-6) → trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid (945996-95-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

(1r,4r)-N1-methylcyclohexane-1,4-diamine (15803-59-5,1932261-28-3,38362-02-6) → trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid (945996-95-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: benzaldehyde / toluene / 6 h / Heating / reflux

1.2: 3.25 h / 20 °C

2.1: acetic acid / tetrahydrofuran; methanol; toluene / 4 h / 20 °C

2.2: 1 h

3.1: triethylamine / dichloromethane / 16 h / 20 °C

With benzaldehyde; acetic acid; triethylamine; In tetrahydrofuran; methanol; dichloromethane; toluene;

Reference yield:

trans-N-methyl-N-tert-butoxycarbonyl-1,4-diaminocyclohexane (566172-79-0) → trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid (945996-95-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / tetrahydrofuran; methanol; toluene / 4 h / 20 °C

1.2: 1 h

2.1: triethylamine / dichloromethane / 16 h / 20 °C

With acetic acid; triethylamine; In tetrahydrofuran; methanol; dichloromethane; toluene;

upstream raw materials:

trans-3-{[4-(Boc-methyl-amino)-cyclohexylamino]-methyl}-4-methoxy-benzeneboronic acid

2,3-Dichlor-4-fluor-benzo--thiophen-2-carbonsaeurechlorid

(1r,4r)-N¹-methylcyclohexane-1,4-diamine

trans-N-methyl-N-tert-butoxycarbonyl-1,4-diaminocyclohexane