4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid

Base Information

• Chemical Name: 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
• CAS No.: 109164-45-6
• Molecular Formula: C14H17NO5S
• Molecular Weight: 311.35300
• Mol file: 109164-45-6.mol

Synonyms:2-(3-Carboxy-propionylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester;

Chemical Property of 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid

Chemical Property:

• Melting Point: 133 - 136 °C
• Boiling Point: 611.8±55.0 °C(Predicted)
• PKA: 4.67±0.10(Predicted)
• PSA: 120.94000
• Density: 1.387±0.06 g/cm3(Predicted)
• LogP: 2.28980

Purity/Quality:

4-{[3-(Methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid

There total 2 articles about 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic 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: 75.0%

succinic acid anhydride (108-30-5) + methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (108354-78-5) → methyl 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7-tetra-hydrobenzo[b]thiophene-3-carboxylate (109164-45-6)

Guidance literature:

In dichloromethane; Reflux; Inert atmosphere;

DOI:10.1039/c3ob42478b

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → methyl 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7-tetra-hydrobenzo[b]thiophene-3-carboxylate (109164-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfur; diethylamine / methanol / 24 h / 20 °C

2: dichloromethane / Reflux; Inert atmosphere

With sulfur; diethylamine; In methanol; dichloromethane; 1: |Gewald Aminoheterocycles Synthesis;

DOI:10.1039/c3ob42478b

Reference yield:

methyl 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7-tetra-hydrobenzo[b]thiophene-3-carboxylate (109164-45-6) → 3-(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoic acid (109164-47-8)

Guidance literature:

With ammonium hydroxide; Yield given;

upstream raw materials:

succinic acid anhydride

methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

cyclohexanone

Downstream raw materials:

3-(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoic 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 109164-45-6 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send