5-Bromo-2-methyl-1-benzothiophene

Base Information

• Chemical Name: 5-Bromo-2-methyl-1-benzothiophene
• CAS No.: 7312-07-4
• Molecular Formula: C9H7BrS
• Molecular Weight: 227.125
• European Community (EC) Number: 857-259-5
• DSSTox Substance ID: DTXSID50546105
• Nikkaji Number: J1.427.296H
• Wikidata: Q82423812
• Mol file: 7312-07-4.mol

Synonyms:5-bromo-2-methyl-1-benzothiophene;7312-07-4;5-bromo-2-methyl-benzothiophene;5-Bromo-2-methylbenzo[b]thiophene;5-bromo-2-methylbenzothiophene;MFCD16657763;5-bromo-2-methylbenzthiophene;SCHEMBL1744396;DTXSID50546105;UTFSSVWJVFAACX-UHFFFAOYSA-N;AKOS005216606;PS-18599;SY149647;CS-0225222;EN300-123144;F89350;Z1269233897

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

Chemical Property:

• PSA: 28.24000
• LogP: 3.97220
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.94518
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-methyl-1-benzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(S1)C=CC(=C2)Br

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

There total 6 articles about 5-Bromo-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: 99.0%

5-bromobenzo[b]thiophene (4923-87-9) + methyl iodide (74-88-4) → 5-bromo-2-methylbenzothiophene (7312-07-4)

Guidance literature:

5-bromobenzo[b]thiophene; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 - 0 ℃; for 1h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; n-heptane; ethylbenzene; at -78 - 20 ℃; for 2h;

DOI:10.1055/s-0031-1290599

Reference yield: 64.0%

(4-bromophenyl)(2-chloroallyl)sulfane (65523-60-6) → 5-bromo-2-methylbenzothiophene (7312-07-4)

Guidance literature:

With diethylamine; Reflux;

Reference yield:

C13H19BrO2S → 5-bromo-2-methylbenzothiophene (7312-07-4)

Guidance literature:

With polyphosphoric acid(PPA); In chlorobenzene; Reflux;

DOI:10.1007/s11172-010-0099-y

upstream raw materials:

para-bromobenzenethiol

(4-bromophenyl)(2-chloroallyl)sulfane

5-bromobenzo[b]thiophene

methyl iodide

Downstream raw materials:

5-bromobenzo[b]thiophene-2-carboxaldehyde

1-(5-bromo-2-methylbenzo[b]thiophen-3-yl)-5-(5-chloro-2-methylthiophen-3-yl)pentane-1,5-dione

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

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