[(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester

Base Information

• Chemical Name: [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester
• CAS No.: 225115-95-7
• Molecular Formula: C₅₂H₈₂N₄O₁₂
• Molecular Weight: 955.243
• Mol file: 225115-95-7.mol

Synonyms:[(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester

Chemical Property of [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester

There total 6 articles about [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl 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: 89.0%

8,10-heneicosadiynoic acid (174063-95-7) + ethyl 2-(((5-(N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)carbamoyl)-3-((bis(ethoxycarbonyl)methylamino)methyl)phenyl)methyl)(ethoxycarbonyl)methylamino)acetate (225115-93-5) → [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester (225115-95-7)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In acetonitrile;

DOI:10.1021/jo982397j

Reference yield:

Diethyl iminodiacetate (6290-05-7) → [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester (225115-95-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 98 percent / K₂CO₃ / acetonitrile / Ambient temperature; sonication

2: 91 percent / TFA / 2.5 h / Ambient temperature

3: 90 percent / BOP, Et₃N / acetonitrile / 12 h / Ambient temperature

4: 97 percent / TFA / 2.5 h / Ambient temperature

5: 89 percent / BOP, Et₃N / acetonitrile

With potassium carbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In acetonitrile;

DOI:10.1021/jo982397j

Reference yield:

3,5-Bis(brommethyl)benzoesaeure-tert-butylester (156597-80-7) → [(3-[(bis-ethoxycarbonylmethyl-amino)-methyl]-5-{2-[2-(2-heneicosa-8,10-diynoylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-benzyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester (225115-95-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 98 percent / K₂CO₃ / acetonitrile / Ambient temperature; sonication

2: 91 percent / TFA / 2.5 h / Ambient temperature

3: 90 percent / BOP, Et₃N / acetonitrile / 12 h / Ambient temperature

4: 97 percent / TFA / 2.5 h / Ambient temperature

5: 89 percent / BOP, Et₃N / acetonitrile

With potassium carbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In acetonitrile;

DOI:10.1021/jo982397j

upstream raw materials:

8,10-heneicosadiynoic acid

ethyl 2-(((5-(N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)carbamoyl)-3-((bis(ethoxycarbonyl)methylamino)methyl)phenyl)methyl)(ethoxycarbonyl)methylamino)acetate

Diethyl iminodiacetate

3,5-Bis(brommethyl)benzoesaeure-tert-butylester