4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylic acid
• CAS No.: 88791-16-6
• Molecular Formula: C₁₀H₇BrO₃S
• Molecular Weight: 287.134
• DSSTox Substance ID: DTXSID90519732
• Wikidata: Q82383132

Synonyms:88791-16-6;4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylic acid;4-Bromo-7-methoxy-1-benzothiophene-2-carboxylic acid;DTXSID90519732;4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylicacid

Chemical Property of 4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.66E-09mmHg at 25°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 285.92993
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C2C(=C(C=C1)Br)C=C(S2)C(=O)O

Technology Process of 4-Bromo-7-methoxybenzo[b]thiophene-2-carboxylic acid

There total 3 articles about 4-Bromo-7-methoxybenzo[b]thiophene-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: 50.0%

β-(2-bromo-5-methoxyphenyl)-α-mercaptoacrylic acid (88791-15-5) → 4-bromo-7-methoxybenzothiophene-2-carboxylic acid (88791-16-6)

Guidance literature:

With iodine; In tetrahydrofuran; for 48h; Heating;

Reference yield:

2-bromo-5-methoxy-benzaldehyde (7507-86-0) → 4-bromo-7-methoxybenzothiophene-2-carboxylic acid (88791-16-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / NaOAc, glacial AcOH / benzene / 3 h / Heating

2: 85 percent / NaOH / H₂O / 0.75 h / 100 °C

3: 50 percent / I₂ / tetrahydrofuran / 48 h / Heating

With sodium hydroxide; iodine; sodium acetate; acetic acid; In tetrahydrofuran; water; benzene;

Reference yield:

5-(2-bromo-5-methoxybenzylidene)rhodanine (88791-14-4) → 4-bromo-7-methoxybenzothiophene-2-carboxylic acid (88791-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / NaOH / H₂O / 0.75 h / 100 °C

2: 50 percent / I₂ / tetrahydrofuran / 48 h / Heating

With sodium hydroxide; iodine; In tetrahydrofuran; water;

upstream raw materials:

β-(2-bromo-5-methoxyphenyl)-α-mercaptoacrylic acid

2-bromo-5-methoxy-benzaldehyde

5-(2-bromo-5-methoxybenzylidene)rhodanine

Downstream raw materials:

4-bromo-7-methoxybenzothiophene

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