Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate
• CAS No.: 84538-85-2
• Molecular Formula: C₁₇H₁₇NO₂S
• Molecular Weight: 299.393
• Hs Code.: 2934999090

Synonyms:Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate

Chemical Property of Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate

Chemical Property:

• Melting Point: 81-82 °C(Solv: ethanol (64-17-5))
• Boiling Point: 423.5±45.0 °C(Predicted)
• PSA: 77.62000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 3.62660

Purity/Quality:

≥99% ^*data from raw suppliers

Ethyl3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate

There total 3 articles about Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-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: 16.0%

3-phenyl-1,2-benzoisothiazole (70132-76-2) + 1-ethoxyacetylene (927-80-0) → 3-phenyl-1-benzothiophene (14315-12-9) + 3-ethoxy-1-phenyl-isoquinoline (84538-77-2) + 5-Phenyl-3,4-benzo-2,6-thiazabicyclo<3.2.0>hept-3-en-7-one (84538-88-5) + Ethyl 2,3-dihydro-3-amino-3-phenylbenzothiophenyl-2-carboxylate (84538-85-2)

Guidance literature:

for 30h; Further byproducts given; Irradiation;

DOI:10.1021/jo00156a026

Reference yield: 15.0%

3-phenyl-1,2-benzoisothiazole (70132-76-2) + 1-ethoxyacetylene (927-80-0) → 3-phenyl-1-benzothiophene (14315-12-9) + 3-ethoxy-1-phenyl-isoquinoline (84538-77-2) + 7-Ethoxy-5-phenyl-3,4-benzo-2,6-thiazabicyclo<3.2.0>hepta-3,6-diene (84538-73-8) + Ethyl 2,3-dihydro-3-amino-3-phenylbenzothiophenyl-2-carboxylate (84538-85-2)

Guidance literature:

for 30h; Further byproducts given; Irradiation;

DOI:10.1021/jo00156a026

Reference yield: 15.0%

3-phenyl-1,2-benzoisothiazole (70132-76-2) + 1-ethoxyacetylene (927-80-0) → 3-phenyl-1-benzothiophene (14315-12-9) + 3-ethoxy-1-phenyl-isoquinoline (84538-77-2) + 5-Phenyl-3,4-benzo-2,6-thiazabicyclo<3.2.0>hept-3-en-7-one (84538-88-5) + 7-Ethoxy-5-phenyl-3,4-benzo-2,6-thiazabicyclo<3.2.0>hepta-3,6-diene (84538-73-8) + Ethyl 2,3-dihydro-3-amino-3-phenylbenzothiophenyl-2-carboxylate (84538-85-2)

Guidance literature:

With hydrogenchloride; at 18 ℃; for 30h; Product distribution; Irradiation;

DOI:10.1021/jo00156a026

upstream raw materials:

3-phenyl-1,2-benzoisothiazole

1-ethoxyacetylene

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