(4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone

Base Information

Chemical Name:(4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone
CAS No.:741712-38-9
Molecular Formula:C13H12FN3O3S
Molecular Weight:309.321
Hs Code.:
DSSTox Substance ID:DTXSID10475003
Wikidata:Q82305214

Synonyms:(4-amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone;741712-38-9;SCHEMBL4350689;DTXSID10475003;VLUDXPGSPNHCDW-UHFFFAOYSA-N

Suppliers and Price of (4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone

Supply Marketing:

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

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Chemical Property of (4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:309.05834059
Heavy Atom Count:21
Complexity:480

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCS(=O)(=O)C1=NC=C(C(=N1)N)C(=O)C2=CC(=CC=C2)F

Technology Process of (4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone

There total 3 articles about (4-Amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone 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:

: 741712-37-8
(4-amino-2-ethylsulfanylpyrimidin-5-yl)(3-fluorophenyl)methanone

: 741712-38-9
(4-amino-2-ethanesulfonylpyrimidin-5-yl)(3-fluorophenyl)methanone

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 0 ℃;
DOI:10.1021/jm0606138

Reference yield:

: 741712-36-7
4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid metoxymethylamide

: 741712-38-9
(4-amino-2-ethanesulfonylpyrimidin-5-yl)(3-fluorophenyl)methanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.67 h / -78 °C

1.2: tetrahydrofuran; hexane / -78 °C

2.1: mCPBA / CHCl₃ / 0 °C

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; chloroform;
DOI:10.1021/jm0606138

Reference yield:

: 89853-87-2
4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid

: 741712-38-9
(4-amino-2-ethanesulfonylpyrimidin-5-yl)(3-fluorophenyl)methanone

Guidance literature:: Multi-step reaction with 3 steps

1.1: HOBt; HBTU; DIPEA / dimethylformamide / 0.25 h / 0 °C

1.2: 98 percent / dimethylformamide / 2 h / 0 - 20 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 0.67 h / -78 °C

2.2: tetrahydrofuran; hexane / -78 °C

3.1: mCPBA / CHCl₃ / 0 °C

With n-butyllithium; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; chloroform; N,N-dimethyl-formamide;
DOI:10.1021/jm0606138