5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
• CAS No.: 6345-55-7
• Molecular Formula: C9H5NO4S
• Molecular Weight: 223.209
• Hs Code.: 2934999090
• Mol file: 6345-55-7.mol

Synonyms:5-Nitrobenzo[b]thiophene-2-carboxylic acid;

Chemical Property of 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 8.93E-10mmHg at 25°C
• Melting Point: 239-241 °C
• Boiling Point: 473.6 °C at 760 mmHg
• PKA: 3.13±0.30(Predicted)
• Flash Point: 240.2 °C
• PSA: 111.36000
• Density: 1.624 g/cm³
• LogP: 3.03090
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

5-Nitro-1-benzothiophene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

There total 10 articles about 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC 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: 100.0%

methyl 5-nitrobenzo[b]thiophene-2-carboxylate (20699-86-9) → 5-nitrobenzo[b]thiophene-2-carboxylic acid (6345-55-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 3h;

DOI:10.3987/COM-08-11326

Reference yield: 99.0%

→ 5-nitrobenzo[b]thiophene-2-carboxylic acid (6345-55-7)

Guidance literature:

Reference yield: 95.0%

ethyl 5-nitro-2-benzo[b]thiophenecarboxylate (25785-09-5) → 5-nitrobenzo[b]thiophene-2-carboxylic acid (6345-55-7)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1016/j.bmcl.2011.12.070

upstream raw materials:

(2-formyl-4-nitro-phenylsulfanyl)-acetic acid

2-chloro-5-nitrobenzaldehyde

methyl 5-nitrobenzo[b]thiophene-2-carboxylate

ethyl 5-nitro-2-benzo[b]thiophenecarboxylate

Downstream raw materials:

5-Nitrobenzothiophene-2-carboxaldehyde

(Z)-3-(5-Nitro-benzo[b]thiophen-2-yl)-1-phenyl-propenone

2-amino-3-cyano-4-(5-nitrobenzothienyl)-6-phenylpyridine

3-cyano-4-(5-nitrobenzothienyl)-6-phenylpyridin-2-one

Refernces

• 1、 -. "HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME". . . Retrieved 2021/07/10.
• 2、 Zarei, Omid,Azimian, Fereshteh,Hamzeh-Mivehroud, Maryam,Shahbazi Mojarrad, Javid,Hemmati, Salar,Dastmalchi, Siavoush. "Design, synthesis, and biological evaluation of novel benzo[b]thiophene-diaryl urea derivatives as potential anticancer agents". . p. 1438 - 1448. Retrieved 2020/05/28.