Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate

Base Information

Chemical Name:Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate
CAS No.:150610-65-4
Molecular Formula:C₃₁H₃₄N₂O₅
Molecular Weight:514.621
Hs Code.:
UNII:HFZ1LG658G

Synonyms:HFZ1LG658G;UNII-HFZ1LG658G;1-Pyrrolidinecarboxylic acid, 3-(4-((1S)-1-((7-cyano-2-naphthalenyl)methyl)-2-ethoxy-2-oxoethyl)phenoxy)-, 1,1-dimethylethyl ester, (3S)-;150610-65-4;Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate;SCHEMBL6928672;NMJRXFTUIGIPII-NSOVKSMOSA-N;(2S)-2-[4-[[(3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl]oxy]phenyl]-3-(7-cyano-2-naphthyl)propionic acid ethyl ester

Suppliers and Price of Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate

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

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Chemical Property of Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate

Chemical Property:

XLogP3:6.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:514.24677219
Heavy Atom Count:38
Complexity:852

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C
Isomeric SMILES:CCOC(=O)[C@@H](CC1=CC2=C(C=C1)C=CC(=C2)C#N)C3=CC=C(C=C3)O[C@H]4CCN(C4)C(=O)OC(C)(C)C

Technology Process of Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate

There total 18 articles about Ethyl (2S)-(4-(((3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl)oxy)phenyl)-3-(7-cyano-2-naphthyl)propanoate 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: 99.0%

: 64-17-5
ethanol

: tert-butyl (S)-3-(4-((S)-3-(7-cyanonaphthalen-2-yl)-1-oxo-1-(pentafluorophenoxy)propan-2-yl)phenoxy)pyrrolidine-1-carboxylate

: 150610-65-4
(2S)-2-[4-[[(3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl]oxy]phenyl]-3-(7-cyano-2-naphthyl)propionic acid ethyl ester

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 24h; enantioselective reaction; Inert atmosphere;
DOI:10.1002/anie.201806742

Reference yield: 88.0%

: 150610-65-4
(2S)-2-[4-[[(3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl]oxy]phenyl]-3-(7-cyano-2-naphthyl)propionic acid ethyl ester

Guidance literature:

Reference yield:

: 627527-17-7
7-bromonaphthalene-2-carbaldehyde

: 150610-65-4
(2S)-2-[4-[[(3S)-1-(tert-butoxycarbonyl)-3-pyrrolidinyl]oxy]phenyl]-3-(7-cyano-2-naphthyl)propionic acid ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: methanol; sodium tetrahydroborate / 4 h / 0 - 20 °C / Inert atmosphere

2: copper(l) iodide; potassium iodide; N,N`-dimethylethylenediamine / toluene / 24 h / 100 °C / Inert atmosphere

3: pyridine N-oxide; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene / dichloromethane / 2 h / Inert atmosphere

4: (S)-(-)-2-phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole; N-ethyl-N,N-diisopropylamine; [(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)-2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate / toluene / 24 h / 20 °C / Autoclave; Inert atmosphere

5: N-ethyl-N,N-diisopropylamine; dmap / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere

With pyridine N-oxide; methanol; dmap; sodium tetrahydroborate; copper(l) iodide; (S)-(-)-2-phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole; [(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)-2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; N-ethyl-N,N-diisopropylamine; potassium iodide; N,N`-dimethylethylenediamine; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1002/anie.201806742