{[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid

Base Information

• Chemical Name: {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid
• CAS No.: 112196-54-0
• Molecular Formula: C₂HF₃O₂*C₂₆H₄₀N₆O₈
• Molecular Weight: 678.663
• Mol file: 112196-54-0.mol

Synonyms:{[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid

Chemical Property of {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid

There total 11 articles about {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic 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:

methyl 2-[[2-[tert-butoxycarbonyl(methyl)amino]acetyl]methylamino]acetate (42492-58-0) → {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid (112196-54-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 69 percent / CF₃CO₂H / CH₂Cl₂ / 0.5 h / 25 °C

2: 64 percent / dicyclohexylcarbodiimine (DCC), 1-hydroxybenzotrazole (HOBT) / CH₂Cl₂ / 24 h / 25 °C

3: 86 percent / LiOH / tetrahydrofuran; methanol; H₂O / 3 h / 25 °C

4: CH₂Cl₂ / 2 h / 25 °C

With lithium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1021/jo00238a005

Reference yield:

BOC-D-Ala-L-Ala-NMe-L-Tyr(OMe)-L-Ala-OH (112196-84-6) → {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid (112196-54-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 64 percent / dicyclohexylcarbodiimine (DCC), 1-hydroxybenzotrazole (HOBT) / CH₂Cl₂ / 24 h / 25 °C

2: 86 percent / LiOH / tetrahydrofuran; methanol; H₂O / 3 h / 25 °C

3: CH₂Cl₂ / 2 h / 25 °C

With lithium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1021/jo00238a005

Reference yield:

(S)-2-(tert-butoxycarbonyl(methyl)amino)-3-(4-methoxyphenyl)propanoic acid (73584-84-6) → {[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-acetyl]-methyl-amino}-acetic acid; compound with trifluoro-acetic acid (112196-54-0)

Guidance literature:

Multi-step reaction with 7 steps

1: 76 percent / dicyclohexylcarbodiimide (DCC), 1-hydroxybenzotriazole (HOBT) / CH₂Cl₂ / 24 h / 25 °C

2: 82 percent / CF₃COOH / CH₂Cl₂ / 0.5 h / 25 °C

3: 71 percent / dicyclohexylcarbodiimide (DCC), 1-hydroxybenzotriazole (HOBT) / CH₂Cl₂ / 36 h / 0 °C

4: 82 percent / LiOH / tetrahydrofuran; methanol; H₂O / 3 h / 25 °C

5: 64 percent / dicyclohexylcarbodiimine (DCC), 1-hydroxybenzotrazole (HOBT) / CH₂Cl₂ / 24 h / 25 °C

6: 86 percent / LiOH / tetrahydrofuran; methanol; H₂O / 3 h / 25 °C

7: CH₂Cl₂ / 2 h / 25 °C

With lithium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1021/jo00238a005

upstream raw materials:

Boc-D-Ala-Ala-N-Me-Tyr(OMe)-Ala-N-Me-Gly-N-Me-Gly-OH

trifluoroacetic acid

methyl 2-[[2-[tert-butoxycarbonyl(methyl)amino]acetyl]methylamino]acetate

BOC-D-Ala-L-Ala-NMe-L-Tyr(OMe)-L-Ala-OH

Downstream raw materials:

Cyclo-(D-Ala-Ala-N-Me-Tyr(OCH₃)-Ala-N-Me-Gly-N-Me-Gly)