methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide

Base Information

• Chemical Name: methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide
• CAS No.: 279261-49-3
• Molecular Formula: C₂₁H₂₂O₄S
• Molecular Weight: 370.469
• Mol file: 279261-49-3.mol

Synonyms:methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide

Chemical Property of methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide

There total 7 articles about methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide 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: 62.0%

4-propylphenylboric acid (134150-01-9) + methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide (279261-19-7) → methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide (279261-49-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; Heating;

DOI:10.1248/cpb.52.577

Reference yield:

4-propylphenyl borate + methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide (279261-19-7) → methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide (279261-49-3)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine)palladium ⁽⁰⁾; In ethanol; water; toluene;

Reference yield:

7-bromo-3,4-dihydro-1-benzothiepin-5(2H)-one (15084-55-6) → methyl 7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide (279261-49-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 88 percent / sodium methoxide / 5 h / Heating

2: NaBH₄ / tetrahydrofuran; methanol / 1 h / -20 - -10 °C

3: Et₃N / tetrahydrofuran / 1.5 h / 0 - 20 °C

4: 37.2 g / 1,8-diazabicyclo[5,4,0]undec-7-ene / tetrahydrofuran / 0.17 h / 20 °C

5: 90 percent / aq. H₂O₂; acetic acid / 1 h / Heating

6: 62 percent / aq. K₂CO₃; Pd(PPh₃)4 / toluene; ethanol / Heating

With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dihydrogen peroxide; sodium methylate; potassium carbonate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In tetrahydrofuran; methanol; ethanol; toluene; 6: Suzuki coupling;

DOI:10.1248/cpb.52.577

upstream raw materials:

4-propylphenylboric acid

methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate 1,1-dioxide

7-bromo-3,4-dihydro-1-benzothiepin-5(2H)-one

methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate

Downstream raw materials:

7-(4-propylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid 1,1-dioxide