Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate

Base Information

• Chemical Name: Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate
• CAS No.: 6138-05-2
• Molecular Formula: C₁₂H₁₀N₆O₃S
• Molecular Weight: 318.316
• DSSTox Substance ID: DTXSID60976919
• Wikidata: Q82961954
• Mol file: 6138-05-2.mol

Synonyms:ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate;6138-05-2;CBMicro_030578;Oprea1_065125;Oprea1_437219;DTXSID60976919;STL478172;AKOS002264793;BIM-0030542.P001;2-(4-Chloro-2-methylphenoxy)-N-[2-(ethoxycarbonyl)phenyl]ethanimidic acid

Chemical Property of Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate

Chemical Property:

• Vapor Pressure: 6.99E-12mmHg at 25°C
• Boiling Point: 543.7°Cat760mmHg
• Flash Point: 282.6°C
• Density: 1.271g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 347.0924357
• Heavy Atom Count: 24
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)C

Technology Process of Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate

There total 3 articles about Ethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}benzoate 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:

N-acetyl-sulfanilic acid-(4-oxo-3,4-dihydro-pteridin-2-ylamide) (875875-99-3) → sulfanilic acid-(4-oxo-3,4-dihydro-pteridin-2-ylamide) (6138-05-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01644a044

Reference yield:

N-acetyl-sulfanilic acid-(6-amino-5-hydroxyimino-4-oxo-4,5-dihydro-pyrimidin-2-ylamide) → sulfanilic acid-(4-oxo-3,4-dihydro-pteridin-2-ylamide) (6138-05-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂S₂O₄

2: aqueous NH₃

3: aq. NaOH solution

With ammonium hydroxide; sodium hydroxide; sodium dithionite;

DOI:10.1021/ja01644a044

Reference yield:

N-acetyl-sulfanilic acid-(4,5-diamino-6-oxo-1,6-dihydro-pyrimidin-2-ylamide) (724457-54-9) → sulfanilic acid-(4-oxo-3,4-dihydro-pteridin-2-ylamide) (6138-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NH₃

2: aq. NaOH solution

With ammonium hydroxide; sodium hydroxide;

DOI:10.1021/ja01644a044

upstream raw materials:

N-acetyl-sulfanilic acid-(4-oxo-3,4-dihydro-pteridin-2-ylamide)

N-acetyl-sulfanilic acid-(4,5-diamino-6-oxo-1,6-dihydro-pyrimidin-2-ylamide)