Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate

Base Information

Chemical Name:Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate
CAS No.:128117-26-0
Molecular Formula:C₁₅H₂₁NO₄S
Molecular Weight:311.402
Hs Code.:
DSSTox Substance ID:DTXSID701162804

Synonyms:SCHEMBL7300947;DTXSID701162804;Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate;128117-26-0

Suppliers and Price of Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate

Supply Marketing:

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

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Chemical Property of Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:311.11912932
Heavy Atom Count:21
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CC(C1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

Technology Process of Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate

There total 6 articles about Methyl alpha-[[(1-methyl-3-azetidinyl)sulfonyl]methyl]benzenepropanoate 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: 99.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 128117-25-9
methyl 2-Benzyl-3-(1-benzyloxycarbonyl-azetidin-3-ylsulfonyl)propionate

: 128117-26-0
methyl 2-Benzyl-3-(1-methylazetidin-3-ylsulfonyl)propionate

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; water; for 20h;
DOI:10.1021/jm00056a006

Reference yield:

: 128117-25-9
methyl 2-Benzyl-3-(1-benzyloxycarbonyl-azetidin-3-ylsulfonyl)propionate

: 128117-26-0
methyl 2-Benzyl-3-(1-methylazetidin-3-ylsulfonyl)propionate

Guidance literature:: With formaldehyd; palladium-carbon; In methanol; water;

Reference yield:

: 5669-19-2
2-Benzyl-2-propenoic acid

: 128117-26-0
methyl 2-Benzyl-3-(1-methylazetidin-3-ylsulfonyl)propionate

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / BF₃*Et₂O / 14 h / Heating

2: 1.) sodium bis(trimethylsilyl)amide / 1.) MeOH, THF, 45 min, 2.) MeOH, THF, 45 min

3: 99 percent / oxone / methanol; H₂O / 14 h

4: 99 percent / H₂ / 10percent Pd/C / methanol; H₂O / 20 h

With Oxone; boron trifluoride diethyl etherate; hydrogen; sodium hexamethyldisilazane; palladium on activated charcoal; In methanol; water;
DOI:10.1021/jm00056a006