O-ethyl S-3-nitrobenzyl carbonodithioate

Base Information

• Chemical Name: O-ethyl S-3-nitrobenzyl carbonodithioate
• CAS No.: 1335107-28-2
• Molecular Formula: C10H11NO3S2
• Molecular Weight: 257.33
• Mol file: 1335107-28-2.mol

Synonyms:1335107-28-2

Chemical Property of O-ethyl S-3-nitrobenzyl carbonodithioate

Chemical Property:

• Boiling Point: 401.4±28.0 °C(Predicted)
• PSA: 112.44000
• Density: 1.337±0.06 g/cm3(Predicted)
• LogP: 3.67260

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of O-ethyl S-3-nitrobenzyl carbonodithioate

There total 1 articles about O-ethyl S-3-nitrobenzyl carbonodithioate 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: 99.0%

potassium ethyl xanthogenate (140-89-6) + 3-Nitrobenzyl chloride (619-23-8) → ethoxy(((3-nitrophenyl)methyl)sulfanyl)methanethione (1335107-28-2)

Guidance literature:

In dimethyl sulfoxide; for 0.5h;

DOI:10.1021/ja207004v

Reference yield: 88.0%

ethoxy(((3-nitrophenyl)methyl)sulfanyl)methanethione (1335107-28-2) → (3-nitrophenyl)methanethiol (77472-39-0)

Guidance literature:

With hydrogenchloride; ethylenediamine; In water; dimethyl sulfoxide; for 0.0833333h;

DOI:10.1021/ja207004v

Reference yield:

ethoxy(((3-nitrophenyl)methyl)sulfanyl)methanethione (1335107-28-2) → (2,2,5-trimethyl-1,3-dioxan-5-yl)methyl (3-nitrophenyl)methanesulfonate (1335107-30-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; ethylenediamine / water; dimethyl sulfoxide / 0.08 h

2: hydrogenchloride; dihydrogen peroxide / dichloromethane; water / Reflux

3: pyridine / acetonitrile

With pyridine; hydrogenchloride; dihydrogen peroxide; ethylenediamine; In dichloromethane; water; dimethyl sulfoxide; acetonitrile;

DOI:10.1021/ja207004v

upstream raw materials:

potassium ethyl xanthogenate

3-Nitrobenzyl chloride

Downstream raw materials:

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl (3-nitrophenyl)methanesulfonate

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl (3-aminophenyl)methanesulfonate

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl (3-hydrazinylphenyl)methanesulfonate

C₅₁H₆₈N₄O₉S₄

Refernces