(3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione

Base Information

Chemical Name:(3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione
CAS No.:155527-35-8
Molecular Formula:C₁₁H₉FN₂O₂
Molecular Weight:220.203
Hs Code.:
DSSTox Substance ID:DTXSID601331977
ChEMBL ID:CHEMBL2144863
Mol file:155527-35-8.mol

Synonyms:(3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione;155527-35-8;3-[(4-fluorophenyl)methylene]tetrahydro-2,5-pyrazinedione;MLS001166286;CHEMBL2144863;DTXSID601331977;HMS2856B03;MFCD01315432;AKOS015992605;SMR000549873;3N-733

Suppliers and Price of (3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:220.06480570
Heavy Atom Count:16
Complexity:333

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(=O)NC(=CC2=CC=C(C=C2)F)C(=O)N1
Isomeric SMILES:C1C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)N1

Technology Process of (3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione

There total 1 articles about (3E)-3-[(4-fluorophenyl)methylidene]piperazine-2,5-dione 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: 62.0%

: 3027-05-2
N,N'-diacetylpiperazin-2,5-dione

: 459-57-4
4-fluorobenzaldehyde

: 155527-35-8
(Z)-3-(4-fluorobenzylidene)piperazine-2,5-dione

Guidance literature:: N,N'-diacetylpiperazin-2,5-dione; 4-fluorobenzaldehyde; With potassium tert-butylate; In dichloromethane; tert-butyl alcohol; at 30 ℃; for 6h;

With hydrazine hydrate; In dichloromethane; N,N-dimethyl-formamide; tert-butyl alcohol; at 20 ℃; for 2h;
DOI:10.1021/acs.orglett.1c01894

Reference yield: 97.0%

: 155527-35-8
(Z)-3-(4-fluorobenzylidene)piperazine-2,5-dione

: (+)-3-(4-fluorobenzyl)piperazine-2,5-dione

Guidance literature:: With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (R,R)-f-spiroPhos; hydrogen; In dichloromethane; at 30 ℃; for 6h; under 15201 Torr; enantioselective reaction; Glovebox;
DOI:10.1021/acs.orglett.1c01894