Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate

Base Information

Chemical Name:Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate
CAS No.:162536-47-2
Molecular Formula:C20H24N2O4
Molecular Weight:356.422
Hs Code.:
DSSTox Substance ID:DTXSID201138359
Nikkaji Number:J820.824G

Synonyms:DTXSID201138359;162536-47-2

Suppliers and Price of Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate

Supply Marketing:

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

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Chemical Property of Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:356.17360725
Heavy Atom Count:26
Complexity:449

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=NC=C1)C(=O)OCC2=CC=CC=C2
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)OCC2=CC=CC=C2

Technology Process of Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate

There total 4 articles about Phenylmethyl (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pyridinepropanoate 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: 76.0%

: 100-39-0
benzyl bromide

: 37535-57-2
(S)-2-((tert-butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid

: 162536-47-2
(S)-2-tert-Butoxycarbonylamino-3-pyridin-4-yl-propionic acid benzyl ester

Guidance literature:: With aq. CsCO₃; In N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(98)00503-4

Reference yield:

: 59524-02-6
N-tert-butoxycarbonyl-L-serine benzyl ester

: 162536-47-2
(S)-2-tert-Butoxycarbonylamino-3-pyridin-4-yl-propionic acid benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / pyridine

2: NaI / acetone

3: 1) activated Zn by Knochel method (TMSCl, BrCH₂CH₂Br), 2) PdCl₂(PPh₃)2 / 1) THF, 1.5 h, 2) THF, benzene, 35 deg C, 2 h

With pyridine; bis-triphenylphosphine-palladium(II) chloride; ethylene dibromide; sodium iodide; zinc; In acetone;
DOI:10.1055/s-1997-742

Reference yield:

: 94882-74-3
benzyl 2(S)-(tert-butoxycarbonylamino)-3-p-toluenesulfonylpropionate

: 162536-47-2
(S)-2-tert-Butoxycarbonylamino-3-pyridin-4-yl-propionic acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaI / acetone

2: 1) activated Zn by Knochel method (TMSCl, BrCH₂CH₂Br), 2) PdCl₂(PPh₃)2 / 1) THF, 1.5 h, 2) THF, benzene, 35 deg C, 2 h

With bis-triphenylphosphine-palladium(II) chloride; ethylene dibromide; sodium iodide; zinc; In acetone;
DOI:10.1055/s-1997-742