N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide

Base Information

• Chemical Name: N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide
• CAS No.: 917387-89-4
• Molecular Formula: C₂₅H₂₉ClN₆O₃S
• Molecular Weight: 529.063
• Mol file: 917387-89-4.mol

Synonyms:N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide

Chemical Property of N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide

There total 7 articles about N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide 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:

C30H37ClN6O5S → N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide (917387-89-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jm300931y

Reference yield:

4-amino-3-chloro-5-methylbenzonitrile (158296-69-6) → N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide (917387-89-4)

Guidance literature:

Multi-step reaction with 5 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / -20 - 65 °C

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C

3: triethylamine / dichloromethane / 2 h / 0 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine / methanol; dichloromethane / 20 °C

5: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

With lithium aluminium tetrahydride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm300931y

Reference yield:

tert-butyl N-(4-amino-3-chloro-5-methylbenzyl)-N'-(3-(4-methoxyphenyl)-5-methylisothiazole-4-carbonyl)carbamimidoylcarbamate (1402164-73-1,917475-50-4) → N-(amino(3-chloro-4-(2-(ethylamino)acetamido)-5-methylbenzylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide (917387-89-4)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 2 h / 0 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / methanol; dichloromethane / 20 °C

3: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

With triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1021/jm300931y

upstream raw materials:

tert-butyl N-(3-(4-methoxyphenyl)-5-methylisothiazole-4-carbonyl)(methylthio)carbonoimidoylcarbamate

tert-butyl N-(4-amino-3-chloro-5-methylbenzyl)-N'-(3-(4-methoxyphenyl)-5-methylisothiazole-4-carbonyl)carbamimidoylcarbamate

4-(aminomethyl)-2-chloro-6-methylaniline

N-((4-(2-bromoacetamido)-3-chloro-5-methylbenzylamino)(tertbutoxycarbonylamino)methylene)-3-(4-methoxyphenyl)-5-methylisothiazole-4-carboxamide