3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate

Base Information

• Chemical Name: 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate
• CAS No.: 865136-51-2
• Molecular Formula: CH₄O₃S*C₂₉H₃₂FNO₅S
• Molecular Weight: 621.748
• Mol file: 865136-51-2.mol

Synonyms:

Chemical Property of 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate

There total 12 articles about 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate 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:

tert-butyl 3-(4-{({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate (865136-48-7) → 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate (865136-51-2)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium hydroxide monohydrate; mercaptoacetic acid / N,N-dimethyl-formamide / 16 h / 20 °C

2: trifluoroacetic acid / toluene / 2 h / 20 °C

3: diethyl ether; ethyl acetate / 20 °C

With lithium hydroxide monohydrate; mercaptoacetic acid; trifluoroacetic acid; In diethyl ether; ethyl acetate; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm2016123

Reference yield:

tert-butyl 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoate (865136-49-8) → 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate (865136-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / toluene / 2 h / 20 °C

2: diethyl ether; ethyl acetate / 20 °C

With trifluoroacetic acid; In diethyl ether; ethyl acetate; toluene;

DOI:10.1021/jm2016123

Reference yield:

4'-((tert-butyldimethylsilyl)oxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-carbaldehyde (858096-62-5) → 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoic acid methanesulfonate (865136-51-2)

Guidance literature:

Multi-step reaction with 8 steps

1: sodium tetrahydroborate / tetrahydrofuran; methanol / 0 °C

2: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran; toluene / 20 °C

3: tetrabutyl ammonium fluoride / tetrahydrofuran / 0 - 20 °C

4: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 20 °C

5: 3-chloro-benzenecarboperoxoic acid / ethyl acetate / 16 h / 0 - 20 °C

6: lithium hydroxide monohydrate; mercaptoacetic acid / N,N-dimethyl-formamide / 16 h / 20 °C

7: trifluoroacetic acid / toluene / 2 h / 20 °C

8: diethyl ether; ethyl acetate / 20 °C

With sodium tetrahydroborate; lithium hydroxide monohydrate; tetrabutyl ammonium fluoride; mercaptoacetic acid; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; methanol; diethyl ether; ethyl acetate; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm2016123

upstream raw materials:

4’-hydroxy-2’,6’-dimethyl-3-biphenylcarbaldehyde

4'-((tert-butyldimethylsilyl)oxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-carbaldehyde

tert-butyl 3-(4-{({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

tert-butyl 3-{4-[({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]-2-fluorophenyl}propanoate