Methyl [(2-chloro-4-nitrophenyl)thio]acetate

Base Information

• Chemical Name: Methyl [(2-chloro-4-nitrophenyl)thio]acetate
• CAS No.: 139326-35-5
• Molecular Formula: C9H8ClNO4S
• Molecular Weight: 261.68200
• DSSTox Substance ID: DTXSID10879709
• Nikkaji Number: J696.250E
• Wikidata: Q82861817
• Mol file: 139326-35-5.mol

Synonyms:139326-35-5;methyl [(2-chloro-4-nitrophenyl)thio]acetate;methyl 2-[(2-chloro-4-nitrophenyl)sulfanyl]acetate;methyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate;DTXSID10879709;Acetic acid, ((2-chloro-4-nitrophenyl)thio)-, methyl ester;MFCD07021492;AKOS000365150;CS-0117106;Methyl2-((2-chloro-4-nitrophenyl)thio)acetate;Methyl 2-((2-chloro-4-nitrophenyl)thio)acetate;2-Chloro-4-nitrophenylthio-acetic acid, methyl e;5Y-0818

Chemical Property of Methyl [(2-chloro-4-nitrophenyl)thio]acetate

Chemical Property:

• PSA: 97.42000
• LogP: 3.03650
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 260.9862566
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-((2-chloro-4-nitrophenyl)thio)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Technology Process of Methyl [(2-chloro-4-nitrophenyl)thio]acetate

There total 2 articles about Methyl [(2-chloro-4-nitrophenyl)thio]acetate 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: 84.0%

methanol (67-56-1) + 2-chloro-4-nitrophenylthioacetic acid (30880-64-9) → methyl 2-chloro-4-nitrophenylthioacetate (139326-35-5)

Guidance literature:

With toluene-4-sulfonic acid; for 2h; Heating;

DOI:10.1080/00304940309355858

Reference yield:

3,4-dichloronitrobenzene (99-54-7) → methyl 2-chloro-4-nitrophenylthioacetate (139326-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / Et₃N / dimethylformamide / 2 h / Heating

2: 84 percent / p-TsOH / 2 h / Heating

With toluene-4-sulfonic acid; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1080/00304940309355858

Reference yield: 66.0%

methyl 2-chloro-4-nitrophenylthioacetate (139326-35-5) → methyl 4-amino-2-chlorophenylthioacetate (619302-06-6)

Guidance literature:

With tin(ll) chloride; In methanol; Heating;

DOI:10.1080/00304940309355858

upstream raw materials:

methanol

2-chloro-4-nitrophenylthioacetic acid

3,4-dichloronitrobenzene

Downstream raw materials:

methyl 4-amino-2-chlorophenylthioacetate

methyl 2-chloro-4-fluorophenylthioacetate

methyl 5-amino-2-chloro-4-fluorophenylthioacetate

methyl 2-chloro-4-fluoro-5-nitrophenylthioacetate

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