4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamide

Base Information

• Chemical Name: 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamide
• CAS No.: 57021-58-6
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.25500
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20481559
• Mol file: 57021-58-6.mol

Synonyms:4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide;57021-58-6;4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4,5,6,7-tetrahydro-2-benzothiophene carboxamide;SCHEMBL2461710;DTXSID20481559;MDTDPEHJGYVJHS-UHFFFAOYSA-N;MFCD00460789;AKOS008977454;AS-9043;CS-0160925;C75673;Z68590921

Chemical Property of 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamide

Chemical Property:

• PSA: 71.33000
• LogP: 2.42610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=C(S2)C(=O)N

Technology Process of 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamide

There total 8 articles about 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamide 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:

4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid (40133-07-1) → 2-Carboxamido-4,5,6,7-tetrahydrobenzothiophen (57021-58-6)

Guidance literature:

With thionyl chloride; Behandeln des Reaktionsprodukts mit wss. Ammoniak;

Reference yield:

4-keto-4,5,6,7-tetrahydrothianaphthene (13414-95-4) → 2-Carboxamido-4,5,6,7-tetrahydrobenzothiophen (57021-58-6)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrazine hydrate; potassium hydroxide; diethylene glycol / 215 °C

2: aluminium chloride

3: alkaline aqueous potassium hypobromite solution; dioxane

4: thionyl chloride / Behandeln des Reaktionsprodukts mit wss. Ammoniak

With 1,4-dioxane; potassium hydroxide; aluminium trichloride; thionyl chloride; alkaline aqueous potassium hypobromite solution; hydrazine hydrate; diethylene glycol;

Reference yield:

1-(4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-ethanone (57021-52-0) → 2-Carboxamido-4,5,6,7-tetrahydrobenzothiophen (57021-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1: alkaline aqueous potassium hypobromite solution; dioxane

2: thionyl chloride / Behandeln des Reaktionsprodukts mit wss. Ammoniak

With 1,4-dioxane; thionyl chloride; alkaline aqueous potassium hypobromite solution;

upstream raw materials:

4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

4-keto-4,5,6,7-tetrahydrothianaphthene

1-(4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-ethanone

2-thiophenebutyric acid