(alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid

Base Information

Chemical Name:(alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid
CAS No.:98818-43-0
Molecular Formula:C₂₄H₃₁NO₅
Molecular Weight:413.514
Hs Code.:
DSSTox Substance ID:DTXSID201115739

Synonyms:DTXSID201115739;(alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid;98818-43-0

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Chemical Property of (alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:413.22022309
Heavy Atom Count:30
Complexity:532

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(CC2=CC=CC=C2)C(=O)O)O
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C[C@@H](CC2=CC=CC=C2)C(=O)O)O

Technology Process of (alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid

There total 18 articles about (alphaR,deltaS,gammaR)-delta-[[(1,1-Dimethylethoxy)carbonyl]amino]-gamma-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid 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: 93.0%

: 98818-40-7
(4R,5S)-3-benzyl-5-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-phenylethyl}dihydrofuran-2-(3H)-one

: 98818-43-0
(2R,4R,5S)-2-Benzyl-5-(tert-butoxycarbonyl)amino-4-hydroxy-6-phenylhexanoic acid

Guidance literature:: With sodium hydroxide; water; In 1,4-dioxane; Ambient temperature;
DOI:10.1135/cccc19980231

Reference yield:

: 98737-42-9
(4R,5R)-3-benzyl-5-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-phenylethyl}dihydrofuran-2-(3H)-one

: 98818-43-0
(2R,4R,5S)-2-Benzyl-5-(tert-butoxycarbonyl)amino-4-hydroxy-6-phenylhexanoic acid

Guidance literature:: With lithium hydroxide; In 1,2-dimethoxyethane; Yield given;
DOI:10.1055/s-1997-803

Reference yield:

: 135130-98-2
(4R)-4-{1-[(S)-(tert-butoxycarbonyl)amino]-2-phenylethyl}-γ-butyrolactone

: 98818-43-0
(2R,4R,5S)-2-Benzyl-5-(tert-butoxycarbonyl)amino-4-hydroxy-6-phenylhexanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium diisopropylamide / hexane; tetrahydrofuran / 0.67 h / -78 °C

1.2: tetrahydrofuran; hexane / -78 °C

1.3: Ac₂O; Et₃N / 1 h / 120 °C

2.1: H₂ / Pd/C / ethyl acetate; methanol / 2 h / 2585.74 Torr

3.1: 3.6 g / LiOH; water; DME / 5 h / 20 °C

With lithium hydroxide; 1,2-dimethoxyethane; water; hydrogen; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; methanol; hexane; ethyl acetate;
DOI:10.1016/S0040-4020(00)01167-4