1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate
CAS No.:154590-36-0
Molecular Formula:C23H28FN3O4
Molecular Weight:429.491
Hs Code.:
DSSTox Substance ID:DTXSID501117065
Mol file:154590-36-0.mol

Synonyms:SCHEMBL6510132;DTXSID501117065;1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate;154590-36-0

Suppliers and Price of 1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate

Supply Marketing:

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

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Chemical Property of 1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:429.20638455
Heavy Atom Count:31
Complexity:598

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Technology Process of 1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate

There total 5 articles about 1,1-Dimethylethyl 4-[2-fluoro-4-[[(phenylmethoxy)carbonyl]amino]phenyl]-1-piperazinecarboxylate 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:

: 154590-35-9
tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

: 501-53-1,94274-21-2
benzyl chloroformate

: 154590-36-0
tert-butyl 4-(4-(benzyloxycarbonyl)-2-fluorophenyl)piperazine-1-carboxylate

Guidance literature:: With N,N-dimethyl-aniline; In tetrahydrofuran; at -20 - 20 ℃;
DOI:10.1021/jm050101d

Reference yield:

: 154590-34-8
4-(2-fluoro-4-nitrophenyl)-piperazine-1-carboxylic acid tert butyl ester

: 154590-36-0
tert-butyl 4-(4-(benzyloxycarbonyl)-2-fluorophenyl)piperazine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / methanol / 20 °C / 2844.31 Torr

2: NaHCO₃ / tetrahydrofuran

With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In tetrahydrofuran; methanol;
DOI:10.1016/j.bmcl.2005.06.063

Reference yield:

: 369-34-6
3,4-difluoronitrobenzene

: 154590-36-0
tert-butyl 4-(4-(benzyloxycarbonyl)-2-fluorophenyl)piperazine-1-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: N-ethyldiisopropylamine / acetonitrile / 80 °C

2: TEA / CH₂Cl₂ / 0 - 20 °C

3: H₂ / Pd/C / methanol / 20 °C / 2844.31 Torr

4: NaHCO₃ / tetrahydrofuran

With TEA; hydrogen; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;
DOI:10.1016/j.bmcl.2005.06.063