Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, methyl ester

Base Information

• Chemical Name: Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, methyl ester
• CAS No.: 88354-91-0
• Molecular Formula: C₁₇H₁₉NO₃S
• Molecular Weight: 317.409
• Mol file: 88354-91-0.mol

Synonyms:Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, methyl ester;88354-91-0

Chemical Property of Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, methyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 445.8°Cat760mmHg
• Flash Point: 223.4°C
• Density: 1.1g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 317.10856464
• Heavy Atom Count: 22
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOCCOC1=CC=C(C=C1)OC2=CC=CC=C2)SC
• Isomeric SMILES: C/C(=N/OCCOC1=CC=C(C=C1)OC2=CC=CC=C2)/SC

Technology Process of Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, methyl ester

There total 8 articles about Ethanimidothioic acid, N-(2-(4-phenoxyphenoxy)ethoxy)-, 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:

4-Phenoxyphenol (831-82-3) → N-[2-(4-Phenoxy-phenoxy)-ethoxy]-thioacetimidic acid methyl ester (88354-91-0)

Guidance literature:

Multi-step reaction with 4 steps

1: anhydr. potassium carbonate / dimethylformamide / 8 h / 100 °C

2: lithium aluminum hydride / diethyl ether / Ambient temperature

3: pyridine / Ambient temperature

4: sodium hydride / dimethylformamide / Ambient temperature

With lithium aluminium tetrahydride; sodium hydride; potassium carbonate; In pyridine; diethyl ether; N,N-dimethyl-formamide;

Reference yield:

2-(4-phenoxyphenoxy)-ethanol (63066-74-0) → N-[2-(4-Phenoxy-phenoxy)-ethoxy]-thioacetimidic acid methyl ester (88354-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / Ambient temperature

2: sodium hydride / dimethylformamide / Ambient temperature

With sodium hydride; In pyridine; N,N-dimethyl-formamide;

Reference yield:

1-(4-(2-bromoethoxy)phenoxy)benzene (87545-48-0) → N-[2-(4-Phenoxy-phenoxy)-ethoxy]-thioacetimidic acid methyl ester (88354-91-0)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dimethylformamide / 8 h / 100 °C

2: hydroxylamine sulfate, tetra-n-butyl ammonium bromide, sodium hydroxide / toluene; H₂O / 3 h / Ambient temperature

3: tetra-n-butyl ammonium bromide / toluene; H₂O / 3 h / Ambient temperature

With sodium hydroxide; tetrabutylammomium bromide; hydroxylamine sulfate; triethylamine; In water; N,N-dimethyl-formamide; toluene;

upstream raw materials:

S-methyl thiolacetate

O-[2-(4-Phenoxy-phenoxy)-ethyl]-hydroxylamine

S-methyl-N-hydroxy-thioacetimidate

1-(4-(2-bromoethoxy)phenoxy)benzene

Refernces