METHYL 4-(([(2-CHLOROETHYL)AMINO]CARBONYL)AMINO)BENZENECARBOXYLATE

Base Information

• Chemical Name: METHYL 4-(([(2-CHLOROETHYL)AMINO]CARBONYL)AMINO)BENZENECARBOXYLATE
• CAS No.: 380324-25-4
• Molecular Formula: C₁₁H₁₃ClN₂O₃
• Molecular Weight: 256.689
• Hs Code.: 2916399090
• Mol file: 380324-25-4.mol

Synonyms:methyl 4-(3-(2-chloroethyl)ureido)benzoate

Chemical Property of METHYL 4-(([(2-CHLOROETHYL)AMINO]CARBONYL)AMINO)BENZENECARBOXYLATE

Chemical Property:

• Melting Point: 165-166°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-({[(2-chloroethyl)amino]carbonyl}amino)benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of METHYL 4-(([(2-CHLOROETHYL)AMINO]CARBONYL)AMINO)BENZENECARBOXYLATE

There total 1 articles about METHYL 4-(([(2-CHLOROETHYL)AMINO]CARBONYL)AMINO)BENZENECARBOXYLATE 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: 85.0%

2-chloroethyl isothiocyanate (1943-83-5) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-(3-(2-chloroethyl)ureido)benzoate (380324-25-4)

Guidance literature:

In toluene; at 40 ℃; for 12h;

Reference yield: 75.0%

methyl 4-(3-(2-chloroethyl)ureido)benzoate (380324-25-4) → methyl 4-(2-oxoimidazolidin-1-yl)benzoate (627901-54-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield:

methyl 4-(3-(2-chloroethyl)ureido)benzoate (380324-25-4) → 1-(4-(3-(4-tert-butylphenyl)-2-oxoimidazolidin-1-yl)benzyl)azetidine-3-carboxylic acid

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C

2.1: potassium phosphate; copper(l) iodide; N,N`-dimethylethylenediamine / 1,4-dioxane / 12 h / 110 °C

3.1: diisobutylaluminium hydride / dichloromethane / 2 h / -78 °C

4.1: tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide / acetonitrile / 3 h / 20 °C

5.1: acetic acid / methanol; dichloromethane / 1 h / 20 °C

5.2: 6 h / 20 °C

With potassium phosphate; copper(l) iodide; tetrapropylammonium perruthennate; 4 A molecular sieve; diisobutylaluminium hydride; potassium carbonate; acetic acid; 4-methylmorpholine N-oxide; N,N`-dimethylethylenediamine; In 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

2-chloroethyl isothiocyanate

4-methoxycarbonyl aniline

Downstream raw materials:

methyl 4-(2-oxoimidazolidin-1-yl)benzoate

4-(3-(4-tert-butylphenyl)-2-oxoimidazolidin-1-yl)benzaldehyde

1-(4-tert-butylphenyl)-3-(4-(hydroxymethyl)phenyl)imidazolidin-2-one

methyl 4-(3-(4-tert-butylphenyl)-2-oxoimidazolidin-1-yl)benzoate