4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid

Base Information

Chemical Name:4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid
CAS No.:88072-24-6
Molecular Formula:C11H11NO3
Molecular Weight:205.213
Hs Code.:
ChEMBL ID:CHEMBL124880
DSSTox Substance ID:DTXSID20539468
Wikidata:Q82415234

Synonyms:CHEMBL124880;4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid;88072-24-6;4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid;DTXSID20539468;BDBM50022785;PD182263

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Supply Marketing:

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

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Chemical Property of 4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:205.07389321
Heavy Atom Count:15
Complexity:290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(=O)O)N2CCC2=O

Technology Process of 4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid

There total 3 articles about 4-Methyl-3-(2-oxoazetidin-1-yl)benzoic 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: 41.0%

: 88072-16-6
4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid methyl ester

: 88072-24-6
4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid

Guidance literature:: With sodium hydroxide; water; In pyridine; methanol; for 24h; Heating;

Reference yield:

: 7356-11-8
4-methyl-3-nitro-benzoic acid methyl ester

: 88072-24-6
4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / PtO₂, 80percent / methanol / 20 h / 25 °C / 735.5 Torr

2: 83 percent / 2,6-lutidine / benzene

3: 80 percent / NaH / dimethylformamide; CH₂Cl₂ / Ambient temperature

4: 41 percent / water, NaOH / pyridine; methanol / 24 h / Heating

With 2,6-dimethylpyridine; sodium hydroxide; water; hydrogen; sodium hydride; platinum(IV) oxide; In pyridine; methanol; dichloromethane; N,N-dimethyl-formamide; benzene;

Reference yield:

: 88072-06-4
3-(3-Bromo-propionylamino)-4-methyl-benzoic acid methyl ester

: 88072-24-6
4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / NaH / dimethylformamide; CH₂Cl₂ / Ambient temperature

2: 41 percent / water, NaOH / pyridine; methanol / 24 h / Heating

With sodium hydroxide; water; sodium hydride; In pyridine; methanol; dichloromethane; N,N-dimethyl-formamide;