(6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate

Base Information

• Chemical Name: (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate
• CAS No.: 1372187-07-9
• Molecular Formula: C₁₈H₂₅ClFNO₆S
• Molecular Weight: 437.917

Synonyms:(6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate

Chemical Property of (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate

There total 15 articles about (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-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: 100.0%

tert-butyl (6S,7R)-7-(3,4-dichlorophenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate (1372189-41-7) + methanesulfonyl chloride (124-63-0) → (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate (1372187-07-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 5h;

DOI:10.1016/j.bmc.2015.05.017

Reference yield:

3-Chloro-4-fluorobenzaldehyde (34328-61-5) → (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate (1372187-07-9)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 1,4-diaza-bicyclo[2.2.2]octane / acetonitrile / 120 h / 10 - 35 °C

2.1: triethylamine / methanol / 16 h / 10 - 35 °C

3.1: calcium chloride; sodium tetrahydroborate / ethanol; tetrahydrofuran / 4 h / 35 °C / Cooling with ice

3.2: 1 h

4.1: dmap; triethylamine / tetrahydrofuran / 18 h / 35 °C / Cooling with ice

5.1: triethylamine / tetrahydrofuran / 18 h / 0 °C

5.2: 2 h / 35 °C / Cooling with ice

6.1: lithium aluminium tetrahydride; aluminum (III) chloride / diethyl ether; tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

6.2: -78 - 35 °C

7.1: carbonochloridic acid 1-chloro-ethyl ester / acetonitrile / 1 h / 10 - 35 °C

7.2: 1 h / Reflux

7.3: 2 h / 10 - 35 °C

8.1: CHIRALPAK AD / hexane; ethanol / Resolution of racemate

9.1: triethylamine / tetrahydrofuran / 3 h / Cooling with ice

With 1,4-diaza-bicyclo[2.2.2]octane; dmap; aluminum (III) chloride; sodium tetrahydroborate; lithium aluminium tetrahydride; carbonochloridic acid 1-chloro-ethyl ester; triethylamine; calcium chloride; In tetrahydrofuran; methanol; diethyl ether; ethanol; hexane; acetonitrile;

Reference yield:

methyl 2-[(3-chloro-4-fluorophenyl)(hydroxy)methyl]prop-2-enoate (1372186-35-0) → (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate (1372187-07-9)

Guidance literature:

Multi-step reaction with 8 steps

1.1: triethylamine / methanol / 16 h / 10 - 35 °C

2.1: calcium chloride; sodium tetrahydroborate / ethanol; tetrahydrofuran / 4 h / 35 °C / Cooling with ice

2.2: 1 h

3.1: dmap; triethylamine / tetrahydrofuran / 18 h / 35 °C / Cooling with ice

4.1: triethylamine / tetrahydrofuran / 18 h / 0 °C

4.2: 2 h / 35 °C / Cooling with ice

5.1: lithium aluminium tetrahydride; aluminum (III) chloride / diethyl ether; tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

5.2: -78 - 35 °C

6.1: carbonochloridic acid 1-chloro-ethyl ester / acetonitrile / 1 h / 10 - 35 °C

6.2: 1 h / Reflux

6.3: 2 h / 10 - 35 °C

7.1: CHIRALPAK AD / hexane; ethanol / Resolution of racemate

8.1: triethylamine / tetrahydrofuran / 3 h / Cooling with ice

With dmap; aluminum (III) chloride; sodium tetrahydroborate; lithium aluminium tetrahydride; carbonochloridic acid 1-chloro-ethyl ester; triethylamine; calcium chloride; In tetrahydrofuran; methanol; diethyl ether; ethanol; hexane; acetonitrile;

upstream raw materials:

tert-butyl (6S,7R)-7-(3,4-dichlorophenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

methanesulfonyl chloride

3-Chloro-4-fluorobenzaldehyde

methyl 2-[(3-chloro-4-fluorophenyl)(hydroxy)methyl]prop-2-enoate

Downstream raw materials:

(6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((3-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl)methyl)-1,4-oxazepane-4-carboxylate

1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride

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