5-Bromo-3-ethyl-2-methyl-1-benzothiophene

Base Information

• Chemical Name: 5-Bromo-3-ethyl-2-methyl-1-benzothiophene
• CAS No.: 501901-98-0
• Molecular Formula: C11H11 Br S
• Molecular Weight: 255.178
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00467750
• Wikidata: Q82294815
• Mol file: 501901-98-0.mol

Synonyms:501901-98-0;5-BROMO-3-ETHYL-2-METHYL-1-BENZOTHIOPHENE;5-Bromo-3-ethyl-2-methylbenzo[b]thiophene;Benzo[b]thiophene,5-bromo-3-ethyl-2-methyl-;DTXSID00467750;MFCD09038049;AKOS027381357;SB67102;AS-53702;P16916

Chemical Property of 5-Bromo-3-ethyl-2-methyl-1-benzothiophene

Chemical Property:

• PSA: 28.24000
• LogP: 4.53460
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 253.97648
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

5-BROMO-3-ETHYL-2-METHYL-1-BENZOTHIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(SC2=C1C=C(C=C2)Br)C

Technology Process of 5-Bromo-3-ethyl-2-methyl-1-benzothiophene

There total 2 articles about 5-Bromo-3-ethyl-2-methyl-1-benzothiophene 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:

3-acetyl-5-bromo-2-methylbenzo[b]thiophene (501901-96-8) → 5-bromo-3-ethyl-2-methylbenzo[b]thiophene (501901-98-0)

Guidance literature:

3-acetyl-5-bromo-2-methylbenzo[b]thiophene; With hydrazine hydrate; In ethylene glycol; at 80 ℃; for 1h;

With potassium hydroxide; In ethylene glycol; at 190 ℃; for 6h;

DOI:10.1021/jm060249c

Reference yield:

5-bromo-2-methylbenzothiophene (7312-07-4) → 5-bromo-3-ethyl-2-methylbenzo[b]thiophene (501901-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AlCl₃ / CH₂Cl₂ / 2 h / 20 °C

2.1: hydrazine monohydrate / ethane-1,2-diol / 1 h / 80 °C

2.2: 2.7 g / KOH / ethane-1,2-diol / 6 h / 190 °C

With aluminium trichloride; hydrazine hydrate; In dichloromethane; ethylene glycol;

DOI:10.1021/jm060249c

Reference yield:

5-bromo-3-ethyl-2-methylbenzo[b]thiophene (501901-98-0) + (-)-AAR 17779 (178419-47-1,178419-45-9) → (R)-3'-(3-ethyl-2-methylbenzo[b]thiophen-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃;

DOI:10.1021/jm060249c

upstream raw materials:

3-acetyl-5-bromo-2-methylbenzo[b]thiophene

5-bromo-2-methylbenzothiophene

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