3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid

Base Information

Chemical Name:3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid
CAS No.:88072-26-8
Molecular Formula:C13H15NO3
Molecular Weight:233.267
Hs Code.:
DSSTox Substance ID:DTXSID50539471
Wikidata:Q82415237

Synonyms:88072-26-8;3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid;DTXSID50539471

Suppliers and Price of 3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid

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

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Chemical Property of 3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:233.10519334
Heavy Atom Count:17
Complexity:327

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-(2-Oxoazetidin-1-yl)-4-(propan-2-yl)benzoic acid

There total 3 articles about 3-(2-Oxoazetidin-1-yl)-4-(propan-2-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: 66.0%

: 88072-18-8
4-Isopropyl-3-(2-oxo-azetidin-1-yl)-benzoic acid methyl ester

: 88072-26-8
4-Isopropyl-3-(2-oxo-azetidin-1-yl)-benzoic acid

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

Reference yield:

: 99856-00-5
4-isopropyl-3-nitro-benzoic acid methyl ester

: 88072-26-8
4-Isopropyl-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: 46 percent / 2,6-lutidine / benzene

3: 92 percent / NaH / dimethylformamide; CH₂Cl₂ / Ambient temperature

4: 66 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:

: 24830-44-2
methyl 3-amino-4-isopropylbenzoate

: 88072-26-8
4-Isopropyl-3-(2-oxo-azetidin-1-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / 2,6-lutidine / benzene

2: 92 percent / NaH / dimethylformamide; CH₂Cl₂ / Ambient temperature

3: 66 percent / water, NaOH / pyridine; methanol / 24 h / Heating

With 2,6-dimethylpyridine; sodium hydroxide; water; sodium hydride; In pyridine; methanol; dichloromethane; N,N-dimethyl-formamide; benzene;