(+)-oxepane-4-carboxylic acid

Base Information

• Chemical Name: (+)-oxepane-4-carboxylic acid
• CAS No.: 933747-23-0
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• Mol file: 933747-23-0.mol

Synonyms:

Chemical Property of (+)-oxepane-4-carboxylic acid

Chemical Property:

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (+)-oxepane-4-carboxylic acid

There total 6 articles about (+)-oxepane-4-carboxylic 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: 95.0%

2,3,6,7-tetrahydrooxepine-4-carboxylic acid → (+)-oxepane-4-carboxylic acid (933747-23-0)

Guidance literature:

With C₅₆H₇₂IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; caesium carbonate; In methanol; at 60 ℃; for 12h; under 4560.31 Torr; enantioselective reaction; Autoclave;

DOI:10.1002/anie.201301341

Reference yield:

C9H16O4 → (+)-oxepane-4-carboxylic acid (933747-23-0)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / dichloromethane / 5 h / 0 - 20 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 4 h / 20 °C

3: sodium hydroxide / water; methanol / 5 h / 20 °C

4: C₅₆H₇₂IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); caesium carbonate; hydrogen / methanol / 12 h / 60 °C / 4560.31 Torr / Autoclave

With C₅₆H₇₂IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1002/anie.201301341

Reference yield:

C10H18O6S → (+)-oxepane-4-carboxylic acid (933747-23-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 4 h / 20 °C

2: sodium hydroxide / water; methanol / 5 h / 20 °C

3: C₅₆H₇₂IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); caesium carbonate; hydrogen / methanol / 12 h / 60 °C / 4560.31 Torr / Autoclave

With C₅₆H₇₂IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1002/anie.201301341

upstream raw materials:

Tetrahydro-4H-pyran-4-one

ethyl 5-oxooxepane-4-carboxylate

2,3,6,7-tetrahydro-4-oxepincarboxylic acid ethyl ester