Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate

Base Information

Chemical Name:Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate
CAS No.:190367-50-1
Molecular Formula:C10H11FO4S
Molecular Weight:246.259
Hs Code.:
DSSTox Substance ID:DTXSID80441477
Wikidata:Q82258253

Synonyms:190367-50-1;methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate;SCHEMBL2968143;DTXSID80441477;QOGWKVLBWXCHPD-UHFFFAOYSA-N;4-fluoro-5-methanesulfonyl-2-methyl-benzoic acid methyl ester

Suppliers and Price of Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:246.03620816
Heavy Atom Count:16
Complexity:360

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)F

Technology Process of Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate

There total 5 articles about Methyl 4-fluoro-5-methanesulfonyl-2-methylbenzoate 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:

: 7499-07-2
4-chloro-2-methylbenzoic acid

: 190367-50-1
4-fluoro-5-methanesulfonyl-2-methyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) s-BuLi, TMEDA / 1.) THF, cyclohexane, -90 deg C, 1 h, 2.) THF, cyclohexane, -80 deg C, 10 min

2: ClSO₃H / 1.5 h / 125 °C

3: aq. Na₂SO₃, aq. NaOH / 3 h / 15 - 20 °C

4: a) aq. NaOH, b) K₂CO₃ / dimethylformamide / 5 h / Heating

With chlorosulfonic acid; sodium hydroxide; N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; potassium carbonate; sodium sulfite; In N,N-dimethyl-formamide;
DOI:10.1021/jm960768n

Reference yield:

: 321-21-1
4-fluoro-2-methylbenzoic acid

: 190367-50-1
4-fluoro-5-methanesulfonyl-2-methyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: ClSO₃H / 1.5 h / 125 °C

2: aq. Na₂SO₃, aq. NaOH / 3 h / 15 - 20 °C

3: a) aq. NaOH, b) K₂CO₃ / dimethylformamide / 5 h / Heating

With chlorosulfonic acid; sodium hydroxide; potassium carbonate; sodium sulfite; In N,N-dimethyl-formamide;
DOI:10.1021/jm960768n

Reference yield:

: 1026030-54-5
5-(chlorosulfonyl)-4-fluoro-2-methylbenzoic acid

: 190367-50-1
4-fluoro-5-methanesulfonyl-2-methyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: aq. Na₂SO₃, aq. NaOH / 3 h / 15 - 20 °C

2: a) aq. NaOH, b) K₂CO₃ / dimethylformamide / 5 h / Heating

With sodium hydroxide; potassium carbonate; sodium sulfite; In N,N-dimethyl-formamide;
DOI:10.1021/jm960768n