3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate

Base Information

• Chemical Name: 3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate
• CAS No.: 1448317-74-5
• Molecular Formula: C₂HF₃O₂*C₁₂H₁₄F₅NO₂S
• Molecular Weight: 445.331

Synonyms:3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate

Chemical Property of 3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate

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Technology Process of 3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate

There total 3 articles about 3-(pentafluoro-λ⁶-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate 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: 87.0%

pyrrolidine (123-75-1) + 3-formyl-5-(pentafluoro-λ6-sulphanyl)benzoic acid (1448317-71-2) + trifluoroacetic acid (76-05-1) → 3-(pentafluoro-λ6-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate (1448317-74-5)

Guidance literature:

pyrrolidine; 3-formyl-5-(pentafluoro-λ⁶-sulphanyl)benzoic acid; With acetic acid; In tetrahydrofuran; at 20 ℃; for 1h;

With sodium tris(acetoxy)borohydride; In tetrahydrofuran; at 20 ℃; for 16h;

trifluoroacetic acid; In water; acetonitrile;

Reference yield:

3-(pentafluoro-λ6-sulphanyl)benzoic acid (833-96-5) → 3-(pentafluoro-λ6-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate (1448317-74-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; trifluoroacetic acid; N-Bromosuccinimide / 18 h / 50 °C

2.1: isopropylmagnesium chloride / tetrahydrofuran; diethyl ether / 0.5 h / Cooling with ice

2.2: 0.5 h / Cooling with ice

3.1: acetic acid / tetrahydrofuran / 1 h / 20 °C

3.2: 16 h / 20 °C

With N-Bromosuccinimide; sulfuric acid; isopropylmagnesium chloride; acetic acid; trifluoroacetic acid; In tetrahydrofuran; diethyl ether;

Reference yield:

3-bromo-5-(pentafluoro-λ6-sulphanyl)benzoic acid (1180675-98-2) → 3-(pentafluoro-λ6-sulphanyl)-5-(pyrrolidin-1-ylmethyl)benzoic acid trifluoroacetate (1448317-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: isopropylmagnesium chloride / tetrahydrofuran; diethyl ether / 0.5 h / Cooling with ice

1.2: 0.5 h / Cooling with ice

2.1: acetic acid / tetrahydrofuran / 1 h / 20 °C

2.2: 16 h / 20 °C

With isopropylmagnesium chloride; acetic acid; In tetrahydrofuran; diethyl ether;

upstream raw materials:

3-(pentafluoro-λ⁶-sulphanyl)benzoic acid

pyrrolidine

3-formyl-5-(pentafluoro-λ⁶-sulphanyl)benzoic acid

trifluoroacetic acid

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