2-(2-Chlorophenoxy)ethanethioamide

Base Information

• Chemical Name: 2-(2-Chlorophenoxy)ethanethioamide
• CAS No.: 35370-94-6
• Molecular Formula: C₈H₈ClNOS
• Molecular Weight: 201.677
• Hs Code.: 2930909090
• European Community (EC) Number: 805-429-4
• DSSTox Substance ID: DTXSID30372489
• Mol file: 35370-94-6.mol

Synonyms:2-(2-Chlorophenoxy)ethanethioamide;35370-94-6;2-(2-Chlorophenoxy)thioacetamide;HMS565J15;Maybridge1_008485;2-chlorophenoxy thioacetamide;SCHEMBL7844164;DTXSID30372489;MFCD00052478;SPB 01326;2-(2-Chlorophenoxy)ethanethioamide #;AKOS000195444;CCG-255320;CS-0364387;FT-0608453;2-(2-chlorophenoxy)ethanethioamide, AldrichCPR

Chemical Property of 2-(2-Chlorophenoxy)ethanethioamide

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 116 ºC
• Refractive Index: 1.625
• Boiling Point: 335.7 °C at 760 mmHg
• Flash Point: 156.8 °C
• PSA: 67.34000
• Density: 1.339 g/cm³
• LogP: 2.70520
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.0015127
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Chlorophenoxy)ethanethioamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC(=S)N)Cl
• Uses: 2-(2-Chlorophenoxy)ethanethioamide is a useful reagent for organic synthesis.

Technology Process of 2-(2-Chlorophenoxy)ethanethioamide

There total 1 articles about 2-(2-Chlorophenoxy)ethanethioamide 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:

Methyl (2-chlorophenoxy)acetate (6956-85-0) → 2-(2-chloro-phenoxy)-thioacetamide (35370-94-6)

Guidance literature:

Multistep reaction; (i) aq. NH₃, (ii) P₂S₅, benzene;

Reference yield:

2-(2-chloro-phenoxy)-thioacetamide (35370-94-6) → [2-(2-chloro-phenoxymethyl)-4-methyl-thiazol-5-yl]-acetic acid (59865-74-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KBr / ethanol / 25 h / Heating

2: aq. NaOH / methanol / 0.42 h / Heating

With sodium hydroxide; potassium bromide; In methanol; ethanol;

Reference yield:

3-chloro-4-oxo-pentanoic acid ethyl ester (59865-89-3) + 2-(2-chloro-phenoxy)-thioacetamide (35370-94-6) → [2-(2-chloro-phenoxymethyl)-4-methyl-thiazol-5-yl]-acetic acid ethyl ester (59865-65-5)

Guidance literature:

With potassium bromide; In ethanol; for 25h; Heating;

upstream raw materials:

Methyl (2-chlorophenoxy)acetate

Downstream raw materials:

[2-(2-chloro-phenoxymethyl)-4-methyl-thiazol-5-yl]-acetic acid ethyl ester

[2-(2-chloro-phenoxymethyl)-4-methyl-thiazol-5-yl]-acetic acid