2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid

Base Information

Chemical Name:2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid
CAS No.:355133-96-9
Molecular Formula:C₁₂H₁₆FNO₄S
Molecular Weight:289.328
Hs Code.:
DSSTox Substance ID:DTXSID901213033

Synonyms:355133-96-9;SCHEMBL7103445;DTXSID901213033;2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid

Suppliers and Price of 2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:289.07840733
Heavy Atom Count:19
Complexity:393

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCS(=O)(=O)NC1=C(C=CC(=C1)F)CCCC(=O)O

Technology Process of 2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid

There total 4 articles about 2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid 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: 84.0%

: 594-44-5
Ethanesulfonyl chloride

: 145485-53-6
8-fluoro-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

: 355133-96-9
4-{2-[(ethylsulfonyl)amino]-4-fluorophenyl}butanoic acid

Guidance literature:: 8-fluoro-1,3,4,5-tetrahydrobenzo[b]azepin-2-one; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1.5h;

Ethanesulfonyl chloride; In tetrahydrofuran; at 20 ℃; for 2.5h;
DOI:10.1021/jm030551a

Reference yield: 84.0%

: 355133-96-9
4-{2-[(ethylsulfonyl)amino]-4-fluorophenyl}butanoic acid

Guidance literature:

Reference yield:

: 2840-44-0
7-fluoro-3,4-dihydronaphthalen-1(2H)-one

: 355133-96-9
4-{2-[(ethylsulfonyl)amino]-4-fluorophenyl}butanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 100 percent / NH₂OH*HCl; aq. NaOAc / 24 h / Heating

2.1: 89 percent / polyphosphoric acid / toluene / 0.5 h / Heating

3.1: NaH / tetrahydrofuran / 1.5 h / 0 °C

3.2: 84 percent / tetrahydrofuran / 2.5 h / 20 °C

With PPA; hydroxylamine hydrochloride; sodium acetate; sodium hydride; In tetrahydrofuran; toluene;
DOI:10.1021/jm030551a