Ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate

Base Information

• Chemical Name: Ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate
• CAS No.: 158602-32-5
• Molecular Formula: C₂₀H₂₁NO₂
• Molecular Weight: 307.392
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30699840
• Nikkaji Number: J2.725.428D
• Mol file: 158602-32-5.mol

Synonyms:158602-32-5;ETHYL 2-(1-BENZHYDRYLAZETIDIN-3-YLIDENE)ACETATE;Ethyl 2-(1-benzhydrylazetidin-3-ylidene) acetate;MFCD11227131;SCHEMBL71975;ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]acetate;DTXSID30699840;MMUAPMICLHEYFY-UHFFFAOYSA-N;Acetic acid, [1-(diphenylmethyl)-3-azetidinylidene]-, ethyl ester;AKOS015909425;AB19812;SB50752;SY239798;CS-0328629;FT-0686092;ethyl 2-(1-benzhydryl-3-azetidinylidene)acetate;A809946;Ethyl [1-(diphenylmethyl)azetidin-3-ylidene]acetate;J-520570;1-Benzhydrylazetidine-3-ylideneacetic acid ethyl ester;ETHYL2-(1-BENZHYDRYLAZETIDIN-3-YLIDENE)ACETATE;(1-benzhydrylazetidin-3-ylidene) acetic acid ethyl ester;(1-benzhydrylazetidin-3-ylidene)-acetic acid ethyl ester;(1-benzhydrylazetidin-3-ylidene)acetic acid ethyl ester;ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]ethanoate;(1-benzhydryl-azetidin-3-ylidene)-acetic acid ethyl ester;2-[1-(diphenylmethyl)-3-azetidinylidene]acetic acid ethyl ester;Aceticacid,2-[1-(diphenylmethyl)-3-azetidinylidene]-,ethyl ester

Chemical Property of Ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate

Chemical Property:

• Boiling Point: 415.6±35.0 °C(Predicted)
• PKA: 5.60±0.20(Predicted)
• PSA: 29.54000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 3.51900
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 307.157228913
• Heavy Atom Count: 23
• Complexity: 393

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-(1-benzhydrylazetidin-3-ylidene) acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate

There total 4 articles about Ethyl 2-(1-benzhydrylazetidin-3-ylidene)acetate 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: 79.55%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + N-benzhydryl 3-azetidinone (40320-60-3) → ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]acetate (158602-32-5)

Guidance literature:

diethoxyphosphoryl-acetic acid ethyl ester; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

N-benzhydryl 3-azetidinone; In tetrahydrofuran; at 20 - 25 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00621

Reference yield: 74.0%

N-benzhydryl 3-azetidinone (40320-60-3) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]acetate (158602-32-5)

Guidance literature:

In tetrahydrofuran; at 23 ℃; for 72h;

Reference yield: 52.0%

N-benzhydryl 3-azetidinone (40320-60-3) + C10H21O7P → ethyl 2-[1-(diphenylmethyl)azetidin-3-ylidene]acetate (158602-32-5)

Guidance literature:

C₁₀H₂₁O₇P; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 1h;

N-benzhydryl 3-azetidinone; In tetrahydrofuran; mineral oil; for 0.5h;

DOI:10.1039/c9cc06446j

upstream raw materials:

N-benzhydryl 3-azetidinone

ethyl (triphenylphosphoranylidene)acetate

1-(diphenylmethyl)-3-hydroxyazetidine

diethoxyphosphoryl-acetic acid ethyl ester

Downstream raw materials:

1-Benzhydryl-3-(2-methoxyethyl)azetidine

ethyl 2-(3-azetidinyl)acetate hydrochloride