CBI-BB ZERO/001711

Base Information

• Chemical Name: CBI-BB ZERO/001711
• CAS No.: 35212-90-9
• Molecular Formula: C10H8N2O4S
• Molecular Weight: 252.251
• Hs Code.: 2934999090
• Mol file: 35212-90-9.mol

Synonyms:CBI-BB ZERO/001711;Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate;3-Amino-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester

Chemical Property of CBI-BB ZERO/001711

Chemical Property:

• Melting Point: 231-232°
• Boiling Point: 450.2±40.0 °C(Predicted)
• PKA: -0.39±0.10(Predicted)
• PSA: 126.38000
• Density: 1.528±0.06 g/cm3(Predicted)
• LogP: 3.28270

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CBI-BB ZERO/001711

There total 6 articles about CBI-BB ZERO/001711 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: 67.0%

2-fluoro-4-nitrobenzonitrile (34667-88-4) + Methyl thioglycolate (2365-48-2) → methyl 3-amino-6-nitro<1>benzothiophene-2-carboxylate (35212-90-9)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 130 ℃; for 0.583333h; Microwave irradiation;

DOI:10.1039/c5ob00819k

Reference yield: 46.0%

2,4-dinitrobenzonitrile (4110-33-2) + potassium carbonate (584-08-7) + ethyl 2-sulfanylacetate (623-51-8) → methyl 3-amino-6-nitro<1>benzothiophene-2-carboxylate (35212-90-9)

Guidance literature:

In ethanol;

Reference yield:

2-fluoro-4-nitrotoluene (1427-07-2) → methyl 3-amino-6-nitro<1>benzothiophene-2-carboxylate (35212-90-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 53 percent / sodium dichromate, AcOH, conc. H₂SO₄ / 1 h / 90 °C

2: 1.) (COCl)2, DMF, 2.) aq. NH₃ / 1.) CH₂Cl₂, 25 deg C, 4 h, 2.) CH₂Cl₂, 10 min

3: 95 percent / P₂O₅, hexamethyldisiloxane / CH₂Cl₂ / 4 h / 100 °C

4: 54 percent / Et₃N / acetonitrile / 19 h / 25 °C

With ammonium hydroxide; sodium dichromate; oxalyl dichloride; Hexamethyldisiloxane; sulfuric acid; phosphorus pentoxide; acetic acid; triethylamine; N,N-dimethyl-formamide; In dichloromethane; acetonitrile;

DOI:10.1002/jhet.5570340412

upstream raw materials:

2-fluoro-4-nitrobenzonitrile

Methyl thioglycolate

2-fluoro-4-nitrotoluene

2-fluoro-4-nitrobenzoic acid

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