3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester

Base Information

• Chemical Name: 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester
• CAS No.: 167966-33-8
• Molecular Formula: C₂₂H₂₁F₂NO₅
• Molecular Weight: 417.409

Synonyms:

Chemical Property of 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester

There total 12 articles about 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester 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:

2,4,5-trifluorobenzoic acid (446-17-3) → 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester (167966-33-8)

Guidance literature:

Multi-step reaction with 12 steps

1: NaH / dimethylformamide / 12 h / Ambient temperature

2: 1.) TFA / 1.) RT, 20 h, 2.) toluene, reflux, 2 h

3: diethyl ether; petroleum ether / Ambient temperature

4: acetic anhydride / dimethylsulfoxide / 2 h / Ambient temperature

5: dimethylsulfoxide / 0.5 h / 15 - 20 °C

6: TFA, anisole / 2 h / Ambient temperature

7: Et₃N / acetone / 1.5 h / -25 - -20 °C

8: NaN₃ / H₂O; acetone / 0.5 h / 5 °C

9: dioxane / 2 h / Heating

10: 1 N aq. NaOH / ethanol; dioxane / 2 h / Ambient temperature

11: tetrahydrofuran / 1 h / Ambient temperature

12: tetrahydrofuran / 20 h / Ambient temperature

With sodium hydroxide; sodium azide; acetic anhydride; sodium hydride; methoxybenzene; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; diethyl ether; ethanol; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetone; Petroleum ether;

DOI:10.1248/cpb.42.2063

Reference yield:

4-Carboxymethyl-2,5-difluoro-benzoic acid ethyl ester (1026089-57-5) → 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester (167966-33-8)

Guidance literature:

Multi-step reaction with 10 steps

1: diethyl ether; petroleum ether / Ambient temperature

2: acetic anhydride / dimethylsulfoxide / 2 h / Ambient temperature

3: dimethylsulfoxide / 0.5 h / 15 - 20 °C

4: TFA, anisole / 2 h / Ambient temperature

5: Et₃N / acetone / 1.5 h / -25 - -20 °C

6: NaN₃ / H₂O; acetone / 0.5 h / 5 °C

7: dioxane / 2 h / Heating

8: 1 N aq. NaOH / ethanol; dioxane / 2 h / Ambient temperature

9: tetrahydrofuran / 1 h / Ambient temperature

10: tetrahydrofuran / 20 h / Ambient temperature

With sodium hydroxide; sodium azide; acetic anhydride; methoxybenzene; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; diethyl ether; ethanol; water; dimethyl sulfoxide; acetone; Petroleum ether;

DOI:10.1248/cpb.42.2063

Reference yield:

4-tert-Butoxycarbonylmethyl-2,5-difluoro-benzoic acid ethyl ester → 3-[4-(1-Benzyloxycarbonylamino-cyclopropyl)-2,5-difluoro-phenyl]-3-oxo-propionic acid ethyl ester (167966-33-8)

Guidance literature:

Multi-step reaction with 11 steps

1: 1.) TFA / 1.) RT, 20 h, 2.) toluene, reflux, 2 h

2: diethyl ether; petroleum ether / Ambient temperature

3: acetic anhydride / dimethylsulfoxide / 2 h / Ambient temperature

4: dimethylsulfoxide / 0.5 h / 15 - 20 °C

5: TFA, anisole / 2 h / Ambient temperature

6: Et₃N / acetone / 1.5 h / -25 - -20 °C

7: NaN₃ / H₂O; acetone / 0.5 h / 5 °C

8: dioxane / 2 h / Heating

9: 1 N aq. NaOH / ethanol; dioxane / 2 h / Ambient temperature

10: tetrahydrofuran / 1 h / Ambient temperature

11: tetrahydrofuran / 20 h / Ambient temperature

With sodium hydroxide; sodium azide; acetic anhydride; methoxybenzene; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; diethyl ether; ethanol; water; dimethyl sulfoxide; acetone; Petroleum ether;

DOI:10.1248/cpb.42.2063

upstream raw materials:

magnesium bis(3-ethoxy-3-oxopropanoate)

{1-[2,5-Difluoro-4-(imidazole-1-carbonyl)-phenyl]-cyclopropyl}-carbamic acid benzyl ester

2,4,5-trifluorobenzoic acid

4-Carboxymethyl-2,5-difluoro-benzoic acid ethyl ester

Downstream raw materials:

7-(1-Benzyloxycarbonylamino-cyclopropyl)-1-(4-benzyloxy-phenyl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

7-(1-Benzyloxycarbonylamino-cyclopropyl)-1-(4-benzyloxy-phenyl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

7-(1-Benzyloxycarbonylamino-cyclopropyl)-6-fluoro-1-(2-fluoro-4-methoxy-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

7-(1-Benzyloxycarbonylamino-cyclopropyl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

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