Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate
• CAS No.: 17514-60-2
• Molecular Formula: C12H11NO4S
• Molecular Weight: 265.285
• Hs Code.: 2934999090
• European Community (EC) Number: 673-101-6
• NSC Number: 108928
• DSSTox Substance ID: DTXSID50296355
• Wikidata: Q82036923
• Mol file: 17514-60-2.mol

Synonyms:17514-60-2;Ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate;ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate;NSC108928;DTXSID50296355;NSC-108928;A911721;Ethyl3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate

Chemical Property of Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 7.97E-07mmHg at 25°C
• Boiling Point: 406.7°Cat760mmHg
• Flash Point: 199.8°C
• PSA: 100.36000
• Density: 1.356g/cm³
• LogP: 3.81780
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 265.04087901
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])C

Technology Process of Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate

There total 3 articles about Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate 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%

2'-chloro-5'-nitroacetophenone (23082-50-0) + ethyl 2-sulfanylacetate (623-51-8) → ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate (17514-60-2)

Guidance literature:

With potassium carbonate; In ethanol; at 20 ℃; Reflux;

DOI:10.1016/j.ejmech.2017.05.042

Reference yield: 86.4%

1-(2′-bromo-5′-nitrophenyl)ethan-1-one (65130-31-6) + ethyl 2-sulfanylacetate (623-51-8) → ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate (17514-60-2)

Guidance literature:

In ethanol; for 6h; Reflux;

Reference yield:

→ ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate (17514-60-2)

Guidance literature:

aus 2-Chlor-5-nitroacetophenon;

upstream raw materials:

2'-chloro-5'-nitroacetophenone

ethyl 2-sulfanylacetate

1-(2′-bromo-5′-nitrophenyl)ethan-1-one

Downstream raw materials:

5-amino-3-methyl-benzo[b]thiophene-2-carboxylic acid ethyl ester

methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 17514-60-2 ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send