(S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester

Base Information

• Chemical Name: (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester
• CAS No.: 914645-16-2
• Molecular Formula: C₃₆H₅₁N₃O₅S
• Molecular Weight: 637.884
• Mol file: 914645-16-2.mol

Synonyms:(S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester

Chemical Property of (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester

There total 14 articles about (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester 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: 34.0%

C20H32N2O2 (1173932-24-5) + 6-formyl-benzo[b]thiophene-2-carboxylic acid (1-isobutoxy-ethoxy) amide (914452-25-8) → (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester (914645-16-2)

Guidance literature:

C₂₀H₃₂N₂O₂; 6-formyl-benzo[b]thiophene-2-carboxylic acid (1-isobutoxy-ethoxy) amide; In 1,1-dichloroethane; for 0.5h;

With sodium tris(acetoxy)borohydride; acetic acid; In 1,1-dichloroethane; at 20 ℃; for 1.5h;

Reference yield:

benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester (850074-43-0) → (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester (914645-16-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: boron trifluoride / tetrahydrofuran / 3 h / 0 - 20 °C

2.1: lithium hydroxide; water / tetrahydrofuran / 3 h / 50 °C

3.1: N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate / 2 h / 20 °C

4.1: manganese(IV) oxide / dichloromethane / 0.5 h / 20 °C

5.1: 1,1-dichloroethane / 0.5 h

5.2: 1.5 h / 20 °C

With manganese(IV) oxide; lithium hydroxide; boron trifluoride; water; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In tetrahydrofuran; 1,1-dichloroethane; dichloromethane;

Reference yield:

6-hydroxymethyl-benzo[b]thiophene-2-carboxylic acid ethyl ester (850072-65-0) → (S)-{[4-({[2-(1-isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-cyclohexylmethyl]-amino}-phenyl-acetic acid tert-butyl ester (914645-16-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: lithium hydroxide; water / tetrahydrofuran / 3 h / 50 °C

2.1: N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate / 2 h / 20 °C

3.1: manganese(IV) oxide / dichloromethane / 0.5 h / 20 °C

4.1: 1,1-dichloroethane / 0.5 h

4.2: 1.5 h / 20 °C

With manganese(IV) oxide; lithium hydroxide; water; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In tetrahydrofuran; 1,1-dichloroethane; dichloromethane;

upstream raw materials:

C₂₀H₃₂N₂O₂

6-formyl-benzo[b]thiophene-2-carboxylic acid (1-isobutoxy-ethoxy) amide

2-ethyl 6-methyl benzo[b]thiophene-2,6-dicarboxylate

benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester