(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid

Base Information

• Chemical Name: (2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid
• CAS No.: 900811-41-8
• Molecular Formula: C27H37NO7
• Molecular Weight: 487.58518
• DSSTox Substance ID: DTXSID20468946
• Wikidata: Q82296464
• Mol file: 900811-41-8.mol

Synonyms:900811-41-8;(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid;DTXSID20468946;(|AS,|AS)-4-Methoxy-3-(3-methoxypropoxy)-|A-(1-methylethyl)-|A-[[(phenylmethoxy)carbonyl]amino]benzenepentanoic Acid;(alphaS,gammaS)-4-Methoxy-3-(3-methoxypropoxy)-gamma-(1-methylethyl)-alpha-[[(phenylmethoxy)carbonyl]amino]benzenepentanoic Acid;(?S,?S)-4-Methoxy-3-(3-methoxypropoxy)-?-(1-methylethyl)-?-[[(phenylmethoxy)carbonyl]amino]benzenepentanoic Acid

Chemical Property of (2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid

Chemical Property:

• PSA: 106.81000
• LogP: 4.89930
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 487.25700252
• Heavy Atom Count: 35
• Complexity: 608

Purity/Quality:

97% ^*data from raw suppliers

(αS,γS)-4-Methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)-α-[[(phenylmethoxy)carbonyl]amino]benzenepentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
• Uses: Intermediate in the preparation of Aliskiren.

Technology Process of (2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid

There total 4 articles about (2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic 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:

methyl (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanoate (900811-40-7) → (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanoic acid (900811-41-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 3.5h;

DOI:10.1021/jo060296c

Reference yield:

(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene (172900-69-5) → (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanoic acid (900811-41-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: n-BuLi / tetrahydrofuran / -75 °C

1.2: 90 percent / tetrahydrofuran / -75 - -18 °C

2.1: 99 percent / HCl / H₂O; acetonitrile

3.1: 89 percent / pyridine / CH₂Cl₂ / 2 h / 20 °C

4.1: aq. NaOH / tetrahydrofuran; methanol / 3.5 h / 20 °C

With pyridine; hydrogenchloride; sodium hydroxide; n-butyllithium; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;

DOI:10.1021/jo060296c

Reference yield:

methyl (2S,4S)-2-amino-4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methylhexanoate (656241-36-0) → (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanoic acid (900811-41-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / pyridine / CH₂Cl₂ / 2 h / 20 °C

2: aq. NaOH / tetrahydrofuran; methanol / 3.5 h / 20 °C

With pyridine; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jo060296c

upstream raw materials:

methyl (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanoate

(R)-4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

methyl (2S,4S)-2-amino-4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methylhexanoate

(2S,5R)-2,5-dihydro-3,6-dimethoxy-2-{(2S)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-3-methylbutyl}-5-(1-methylethyl)pyrazine

Downstream raw materials:

pyridin-4-yl (2S,4S)-2-[[(phenylmethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)benzenepentanethioate

(2S,4S)-pentafluorophenyl 4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-2-(benzyloxycarbonylamino)-5-methylhexanoate

(1S,2S,4S,2'S)-(4-butylcarbamoyl-2-hydroxy-1-{2'-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-5-methylhexyl)carbamic acid tert-butyl ester

{(1S,3S)-1-((S)-4-Isopropylidene-5-oxo-tetrahydro-furan-2-yl)-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid benzyl ester

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