(6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione

Base Information

Chemical Name:(6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione
CAS No.:437768-85-9
Molecular Formula:C₁₃H₁₆N₂O₃
Molecular Weight:248.282
Hs Code.:
DSSTox Substance ID:DTXSID601180057
ChEMBL ID:CHEMBL1783391

Synonyms:CHEMBL1783391;DTXSID601180057;(6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione;437768-85-9

Suppliers and Price of (6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of (6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.11609238
Heavy Atom Count:18
Complexity:324

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(=O)NCC(=O)N1CC2=CC=C(C=C2)OC
Isomeric SMILES:C[C@H]1C(=O)NCC(=O)N1CC2=CC=C(C=C2)OC

Technology Process of (6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione

There total 1 articles about (6S)-1-[(4-Methoxyphenyl)methyl]-6-methyl-2,5-piperazinedione 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: 73.0%

: 1138-80-3
N-(Benzyloxycarbonyl)glycine

: ethyl (S)-2-{[(4-methoxyphenyl)methyl]amino}propanoate

: 437768-85-9
(6S)-6-methyl-1-p-methoxybenzylpiperazine-2,5-dione

Guidance literature:: N-(Benzyloxycarbonyl)glycine; ethyl (S)-2-{[(4-methoxyphenyl)methyl]amino}propanoate; With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 12h;

With hydrogen; palladium on activated charcoal; In ethanol; for 12h; under 1810.02 Torr;

In toluene; for 12h; Heating;
DOI:10.1016/S0957-4166(02)00027-7

Reference yield: 76.0%

: 34897-85-3
o-azidobenzoyl chloride

: 437768-85-9
(6S)-6-methyl-1-p-methoxybenzylpiperazine-2,5-dione

: 437768-86-0
(3S)-1-(o-azidobenzoyl)-4-p-methoxybenzyl-3-methylpiperazine-2,5-dione

Guidance literature:: With desipramine; potassium hexamethylsilazane; In tetrahydrofuran; toluene; at -78 - 20 ℃; for 16.25h;
DOI:10.1016/S0957-4166(02)00027-7

Reference yield:

: 437768-85-9
(6S)-6-methyl-1-p-methoxybenzylpiperazine-2,5-dione

: (1S,4R)-4-(m-chlorobenzyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 76 percent / DMI; KHMDS / tetrahydrofuran; toluene / 16.25 h / -78 - 20 °C

2: 67 percent / CAN / acetonitrile; H₂O / 1.33 h / 20 °C

3: 79 percent / n-Bu₃P / toluene / 16 h / 20 °C

4: 59 percent / lithium hexamethyldisilazide / tetrahydrofuran / 16 h / -78 °C

With ammonium cerium(IV) nitrate; desipramine; tributylphosphine; potassium hexamethylsilazane; lithium hexamethyldisilazane; In tetrahydrofuran; water; toluene; acetonitrile; 3: Staudinger reaction;
DOI:10.1016/S0957-4166(02)00027-7