Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-

Base Information

• Chemical Name: Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-
• CAS No.: 145631-05-6
• Molecular Formula: C₃₄H₄₀N₂O₆
• Molecular Weight: 572.701
• DSSTox Substance ID: DTXSID00163124
• Nikkaji Number: J528.729D
• Wikidata: Q83031978
• ChEMBL ID: CHEMBL430469

Synonyms:145631-05-6;Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-;N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-(((3(S)-tetrahydropyranyloxy)carbonyl)amino)-4(S)-hydroxy-6-phenyl-2(R)-benzylhexanamide;N-[2(R)-Hydroxy-1(S)-indanyl]-5(S)-[[(3(S)-tetrahydropyranyloxy)carbonyl]amino]-4(S)-hydroxy-6-phenyl-2(R)-benzylhexanamide;Urethane deriv. 5;CHEMBL430469;DTXSID00163124;(2R,4S,5S)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-2-benzyl-4-hydroxy-5-[[[[(3S)-tetrahydro-2H-pyran]-3-yloxy]carbonyl]amino]-6-phenylhexanamide;[(3S)-tetrahydropyran-3-yl] N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate;Carbamic acid, [5-[(2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, tetrahydro-2H-pyran-3-yl ester, [1S-[1.alpha.[1R*(R*),2R*,4S*],2.alpha.]]-

Chemical Property of Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-

Chemical Property:

• Vapor Pressure: 1.51E-30mmHg at 25°C
• Boiling Point: 847.6°C at 760 mmHg
• Flash Point: 466.4°C
• Density: 1.27g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 572.28863700
• Heavy Atom Count: 42
• Complexity: 844

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(COC1)OC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)C(=O)NC4C(CC5=CC=CC=C45)O)O
• Isomeric SMILES: C1C[C@@H](COC1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O

Technology Process of Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-

There total 4 articles about Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))- 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:

L-685434 (126456-36-8) → [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid (R)-(tetrahydro-pyran-3-yl) ester (145631-05-6,145680-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / CH₂Cl₂ / 0.5 h / 0 °C

2: triethylamine / CH₂Cl₂

With triethylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm00054a015

Reference yield:

L-685434 (126456-36-8) → [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid (S)-(tetrahydro-pyran-3-yl) ester (145631-05-6,145680-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / CH₂Cl₂ / 0.5 h / 0 °C

2: triethylamine / CH₂Cl₂

With triethylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm00054a015

Reference yield:

N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-amino-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)-hexanoic amide + Carbonic acid 2,5-dioxo-pyrrolidin-1-yl ester (R)-(tetrahydro-pyran-3-yl) ester → [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid (R)-(tetrahydro-pyran-3-yl) ester (145631-05-6,145680-04-2)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/jm00054a015

upstream raw materials:

L-685434

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