METHYL 3-NITRO-4-(PHENYLSULFANYL)BENZENECARBOXYLATE

Base Information

• Chemical Name: METHYL 3-NITRO-4-(PHENYLSULFANYL)BENZENECARBOXYLATE
• CAS No.: 33358-30-4
• Molecular Formula: C₁₄H₁₁NO₄S
• Molecular Weight: 289.312
• Mol file: 33358-30-4.mol

Synonyms:4-Methoxycarbonyl-2-nitro-diphenylsulfid;3-Nitro-4-phenylsulfanyl-benzoic acid methyl ester;3-Nitro-4-phenylmercapto-benzoesaeure-methylester;2-Nitro-4-carbomethoxydiphenylsulfid;

Chemical Property of METHYL 3-NITRO-4-(PHENYLSULFANYL)BENZENECARBOXYLATE

Chemical Property:

• Melting Point: 114 °C (dioxane)
• Boiling Point: 429.3±35.0 °C(Predicted)
• PSA: 97.42000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 4.05580

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-nitro-4-(phenylthio)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of METHYL 3-NITRO-4-(PHENYLSULFANYL)BENZENECARBOXYLATE

There total 6 articles about METHYL 3-NITRO-4-(PHENYLSULFANYL)BENZENECARBOXYLATE 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: 93.0%

methyl 3-nitro-4-(piperidin-1-ylsulfonyl)benzoate + sodium thiophenolate (930-69-8) → 3-nitro-4-phenylsulfanyl-benzoic acid methyl ester (33358-30-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1.5h;

Reference yield:

4-chlorosulfonyl-3-nitrobenzoic acid methyl ester (162010-78-8) → 3-nitro-4-phenylsulfanyl-benzoic acid methyl ester (33358-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere

2: tetrahydrofuran / 1.5 h / 20 °C

With pyridine; In tetrahydrofuran; dichloromethane;

Reference yield:

methyl 4-bromo-3-nitrobenzoate (2363-16-8) + sodium thiophenolate (930-69-8) → 3-nitro-4-phenylsulfanyl-benzoic acid methyl ester (33358-30-4)

Guidance literature:

With thiophenol; In methanol; at 15.1 ℃; Kinetics; Thermodynamic data; Rate constant; ΔH(excit.) at 20 deg C, ΔS(excit.) at 20 deg C, reaction mechanism, other 1-halogeno-2-nitrobenzenes, other temperatures;

DOI:10.1021/jo961040h

upstream raw materials:

methyl 3-nitro-4-chlorobenzoate

sodium thiophenolate

methyl 4-bromo-3-nitrobenzoate

methyl ester of 4-iodo-3-nitrobenzoic acid

Downstream raw materials:

3-amino-4-phenylsulfanyl-benzoic acid methyl ester

3-[N'-(3-[1,3]dioxolan-2-yl-phenyl)-ureido]-4-phenylsulfanyl-benzoic acid methyl ester

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