ETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFONYL)-2,2-DIFLUOROACETATE

Base Information

• Chemical Name: ETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFONYL)-2,2-DIFLUOROACETATE
• CAS No.: 477889-77-3
• Molecular Formula: C₁₁H₉F₂NO₄S₂
• Molecular Weight: 321.326
• Mol file: 477889-77-3.mol

Synonyms:

Chemical Property of ETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFONYL)-2,2-DIFLUOROACETATE

Chemical Property:

• Melting Point: 73-75 °C
• Boiling Point: 421.8±55.0 °C(Predicted)
• PKA: -3.84±0.10(Predicted)
• Density: 1.515±0.06 g/cm3(Predicted)

Purity/Quality:

Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

Technology Process of ETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFONYL)-2,2-DIFLUOROACETATE

There total 4 articles about ETHYL 2-(1,3-BENZOTHIAZOL-2-YLSULFONYL)-2,2-DIFLUOROACETATE 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: 70.0%

ethyl α-(1,3-benzothiazol-2-ylsulfonyl)-α-fluoroacetate (910803-66-6) → ethyl 2-(benzo[d]thiazol-2-ylsulfonyl)-2,2-difluoroacetate (477889-77-3)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.03.041

Reference yield: 20.0%

ethyl α-(1,3-benzothiazol-2-ylsulfonyl)-α-fluoroacetate (910803-66-6) → 2-(difluoromethanesulfonyl)-1,3-benzothiazole (186204-66-0) + ethyl 2-(benzo[d]thiazol-2-ylsulfonyl)-2,2-difluoroacetate (477889-77-3)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1016/j.tet.2009.03.041

Reference yield:

ethyl 2-(benzothiazol-2-ylsulfanyl)-2-fluoroacetate → ethyl 2-(benzo[d]thiazol-2-ylsulfonyl)-2,2-difluoroacetate (477889-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dihydrogen peroxide; ammonium molibdate / ethanol / 20 °C / Inert atmosphere

2: N,N,N',N'-tetramethylguanidine; N-fluorobis(benzenesulfon)imide / tetrahydrofuran / 20 °C / Inert atmosphere

With ammonium molibdate; dihydrogen peroxide; N-fluorobis(benzenesulfon)imide; N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; ethanol;

DOI:10.1002/ejoc.201403175

upstream raw materials:

ethyl α-(1,3-benzothiazol-2-ylsulfonyl)-α-fluoroacetate

2-Mercaptobenzothiazole

Downstream raw materials:

2-(difluoromethanesulfonyl)-1,3-benzothiazole

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