2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid

Base Information

• Chemical Name: 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid
• CAS No.: 475096-00-5
• Molecular Formula: C₁₄H₁₀N₂O₆S
• Molecular Weight: 334.309
• Mol file: 475096-00-5.mol

Synonyms:2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid

Chemical Property of 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid

There total 1 articles about 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid 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: 88.0%

2-chloro-3,5-dinitrobenzoic acid (2497-91-8) + phenylmethanethiol (100-53-8) → 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid (475096-00-5)

Guidance literature:

With triethylamine; In 1,2-dimethoxyethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.saa.2013.04.096

Reference yield: 86.0%

methanol (67-56-1) + 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid (475096-00-5) → methyl 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylate (124371-61-5)

Guidance literature:

With thionyl chloride;

DOI:10.3390/70100007

Reference yield:

2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid (475096-00-5) → benzothiadiazole-7-carboxylic acid chloride (124371-49-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: K₂CO₃

2.1: H₂ / Raney nickel / tetrahydrofuran

3.1: NaNO₂; H(+)

3.2: 65 percent / H₃PO₂

4.1: 98 percent / NaOH; H₂O

5.1: SOCl₂

With sodium hydroxide; thionyl chloride; water; hydrogen; hydrogen cation; potassium carbonate; sodium nitrite; nickel; In tetrahydrofuran; 1.1: Esterification / 2.1: Reduction / 3.1: Diazotization / 3.2: Reduction / 4.1: Hydrolysis / 5.1: Substitution;

DOI:10.1002/(SICI)1096-9063(199708)50:4<275::AID-PS593>3.0.CO;2-7

upstream raw materials:

2-chloro-3,5-dinitrobenzoic acid

phenylmethanethiol

Downstream raw materials:

methyl 2-(phenylmethylsulfanyl)-3,5-dinitrobenzenecarboxylate

benzo[1,2,3]thiadiazole-7-carboxylic acid methtyl ester

S-methyl-benzo[1,2,3]thiadiazole-7-carbothioate

benzothiadiazole-7-carboxylic acid chloride