Diethyl (1-benzhydryl-3-azetidinyl)malonate

Base Information

Chemical Name:Diethyl (1-benzhydryl-3-azetidinyl)malonate
CAS No.:181941-94-6
Molecular Formula:C23H27NO4
Molecular Weight:381.472
Hs Code.:
DSSTox Substance ID:DTXSID20456404
Nikkaji Number:J2.659.387E
Wikidata:Q82278856
Mol file:181941-94-6.mol

Synonyms:181941-94-6;Diethyl (1-benzhydryl-3-azetidinyl)malonate;2-(1-benzhydryl-azetidin-3-yl)malonic acid diethyl ester;Diethyl 2-(1-benzhydrylazetidin-3-yl)propanedioate;2-(1-benzhydrylazetidin-3-yl)malonic acid diethyl ester;SCHEMBL1661498;DTXSID20456404;CEVCRAJVGQECAV-UHFFFAOYSA-N;2-(1-benzhydryl-azetidin-3-yl)-malonic acid diethyl ester;2-[1-(Diphenylmethyl)azetidine-3-yl]malonic acid diethyl ester

Suppliers and Price of Diethyl (1-benzhydryl-3-azetidinyl)malonate

Supply Marketing:

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

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Chemical Property of Diethyl (1-benzhydryl-3-azetidinyl)malonate

Chemical Property:

PSA：55.84000
LogP:3.38810
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:381.19400834
Heavy Atom Count:28
Complexity:469

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

Technology Process of Diethyl (1-benzhydryl-3-azetidinyl)malonate

There total 5 articles about Diethyl (1-benzhydryl-3-azetidinyl)malonate 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: 94.0%

: 33301-41-6
1-benzhydryl-3-azetidinyl methanesulfonate

: 105-53-3
diethyl malonate

: 181941-94-6
diethyl 2-[1-(diphenylmethyl)azetidin-3-yl]propane-1,3-dioate

Guidance literature:: diethyl malonate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.25h;

1-benzhydryl-3-azetidinyl methanesulfonate; In tetrahydrofuran; for 18h; Reflux;
DOI:10.3987/COM-08-11463

Reference yield:

: 36476-80-9
toluene-4-sulfonic acid 1-benzhydryl-azetidin-3-yl ester

: 105-53-3
diethyl malonate

: 181941-94-6
diethyl 2-[1-(diphenylmethyl)azetidin-3-yl]propane-1,3-dioate

Guidance literature:: With sodium hydrogencarbonate; citric acid; In tetrahydrofuran; hexane;

Reference yield:

: 18621-17-5
1-(diphenylmethyl)-3-hydroxyazetidine

: 181941-94-6
diethyl 2-[1-(diphenylmethyl)azetidin-3-yl]propane-1,3-dioate

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / pyridine

2: 81 percent / LiBr, Li₂CO₃ / tetrahydrofuran

3: 1.) NaH / 1.) DMF, 2.) DMF

With pyridine; lithium carbonate; sodium hydride; lithium bromide; In tetrahydrofuran;