O-Methyl O-(4-nitrophenyl) carbonothioate

Base Information

• Chemical Name: O-Methyl O-(4-nitrophenyl) carbonothioate
• CAS No.: 1014-94-4
• Molecular Formula: C8H7 N O4 S
• Molecular Weight: 213.214
• NSC Number: 171717
• DSSTox Substance ID: DTXSID00305820
• Nikkaji Number: J849.025B
• Wikidata: Q82052567
• Mol file: 1014-94-4.mol

Synonyms:1014-94-4;O-Methyl O-(4-nitrophenyl) carbonothioate;NSC171717;DTXSID00305820;NSC-171717

Chemical Property of O-Methyl O-(4-nitrophenyl) carbonothioate

Chemical Property:

• Vapor Pressure: 0.0016mmHg at 25°C
• Boiling Point: 304.2°Cat760mmHg
• Flash Point: 137.8°C
• Density: 1.392g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.00957888
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=S)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of O-Methyl O-(4-nitrophenyl) carbonothioate

There total 4 articles about O-Methyl O-(4-nitrophenyl) carbonothioate 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:

bis(4-nitrophenyl) thionocarbonate (5070-14-4) + potassium methanolate (865-33-8) → methyl 4-nitrophenyl thionocarbonate (1014-94-4)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo961921o

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → methyl 4-nitrophenyl thionocarbonate (1014-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: NaOH

With pyridine; sodium hydroxide;

Reference yield:

methanol (67-56-1) + bis(4-nitrophenyl) thionocarbonate (5070-14-4) → methyl 4-nitrophenyl thionocarbonate (1014-94-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

methanol

bis(4-nitrophenyl) thionocarbonate

potassium methanolate

4-nitro-phenol

Downstream raw materials:

methanol

carbon oxide sulfide

4-nitro-phenol

Thiocarbonic acid O-(4-methoxy-phenyl) ester O-methyl ester