4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester

Base Information

• Chemical Name: 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester
• CAS No.: 172036-05-4
• Molecular Formula: C₃₆H₄₉N₅O₁₂S
• Molecular Weight: 775.877

Synonyms:

Chemical Property of 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester

Chemical Property:

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Technology Process of 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester

There total 3 articles about 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl 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: 71.0%

methyl 4-(aminomethyl)benzoate (18469-52-8) + 2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-3-(4-isothiocyanato-phenyl)-propionic acid methyl ester (172036-03-2) → 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester (172036-05-4)

Guidance literature:

In methanol;

DOI:10.1080/00397919508015498

Reference yield:

N-<2-<<2-ethyl>(carboxymethyl)amino>ethyl>-N-(carboxymethyl)-4-nitro-DL-phenylalanine Pentamethyl Ester (126255-26-3) → 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester (172036-05-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / SnCl₂ / methanol / 5 h / Heating

2: 56 percent / CHCl₃ / 2 h

3: 71 percent / methanol

With tin(ll) chloride; In methanol; chloroform;

DOI:10.1080/00397919508015498

Reference yield:

N-<2-<<2-ethyl>(carboxymethyl)amino>ethyl>-N-(carboxymethyl)-4-amino-DL-phenylalanine Pentamethyl Ester (126216-34-0) → 4-[3-(4-{2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-2-methoxycarbonyl-ethyl}-phenyl)-thioureidomethyl]-benzoic acid methyl ester (172036-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / CHCl₃ / 2 h

2: 71 percent / methanol

In methanol; chloroform;

DOI:10.1080/00397919508015498

upstream raw materials:

methyl 4-(aminomethyl)benzoate

2-[(2-{[2-(Bis-methoxycarbonylmethyl-amino)-ethyl]-methoxycarbonylmethyl-amino}-ethyl)-methoxycarbonylmethyl-amino]-3-(4-isothiocyanato-phenyl)-propionic acid methyl ester

N-<2-<<2-ethyl>(carboxymethyl)amino>ethyl>-N-(carboxymethyl)-4-amino-DL-phenylalanine Pentamethyl Ester

N-<2-<<2-ethyl>(carboxymethyl)amino>ethyl>-N-(carboxymethyl)-4-nitro-DL-phenylalanine Pentamethyl Ester

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