Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate

Base Information

Chemical Name:Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate
CAS No.:58810-01-8
Molecular Formula:C₁₅H₁₉NO₆S
Molecular Weight:341.385
Hs Code.:
DSSTox Substance ID:DTXSID10511531
Wikidata:Q82370351

Synonyms:58810-01-8;DTXSID10511531;Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate

Suppliers and Price of Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:341.09330850
Heavy Atom Count:23
Complexity:432

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])SC)C(=O)OCC

Technology Process of Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate

There total 3 articles about Diethyl methyl[3-(methylsulfanyl)-4-nitrophenyl]propanedioate 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:

: 611-06-3
2,4-dichloronitrobenzene

: 58810-01-8
Diethyl 2-methyl-2-(3-methylthio-4-nitrophenyl)malonate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 30 min, room temperature, 2.) DMF

2: 1.) PPh₃, 2.) 1N aq. NaOH / 1.a) EtOH, H₂O, 30 min, 0 deg C, b) 70 min, room temperature, 2.a) EtOH, 40 min, 0 deg C, b) 4.1 h, room temperature

With sodium hydroxide; sodium hydride; triphenylphosphine;
DOI:10.1248/cpb.39.2323

Reference yield:

: 609-08-5
Diethyl methylmalonate

: 58810-01-8
Diethyl 2-methyl-2-(3-methylthio-4-nitrophenyl)malonate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 30 min, room temperature, 2.) DMF

2: 1.) PPh₃, 2.) 1N aq. NaOH / 1.a) EtOH, H₂O, 30 min, 0 deg C, b) 70 min, room temperature, 2.a) EtOH, 40 min, 0 deg C, b) 4.1 h, room temperature

With sodium hydroxide; sodium hydride; triphenylphosphine;
DOI:10.1248/cpb.39.2323

Reference yield:

: 624-92-0
Dimethyldisulphide

: 26039-74-7
Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate

: 58810-01-8
Diethyl 2-methyl-2-(3-methylthio-4-nitrophenyl)malonate

Guidance literature:: With sodium hydroxide; triphenylphosphine; Yield given. Multistep reaction; 1.a) EtOH, H₂O, 30 min, 0 deg C, b) 70 min, room temperature, 2.a) EtOH, 40 min, 0 deg C, b) 4.1 h, room temperature;
DOI:10.1248/cpb.39.2323