Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)-

Base Information

• Chemical Name: Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)-
• CAS No.: 181869-00-1
• Molecular Formula: C28H31NO4
• Molecular Weight: 445.55
• DSSTox Substance ID: DTXSID40939486
• Mol file: 181869-00-1.mol

Synonyms:181869-00-1;Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)-;Benzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-g-hydroxy-2-methoxy-a-(phenylmethyl)-, (1S-(1a(aS,gR),2a))-;DTXSID40939486;(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxyphenyl)pentanamide;2-Benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(2-methoxyphenyl)pentanimidic acid;Benzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-g-hydroxy-2-methoxy-a-(phenylmethyl)-, [1S-[1a(aS*,gR*),2a]]-;Benzenepentanamide, N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-.gamma.-hydroxy-2-methoxy-.alpha.-(phenylmethyl)-, (aR,gS)-

Chemical Property of Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)-

Chemical Property:

• Vapor Pressure: 9.89E-22mmHg at 25°C
• Boiling Point: 719.6°Cat760mmHg
• Flash Point: 389°C
• Density: 1.23g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 445.22530847
• Heavy Atom Count: 33
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O
• Isomeric SMILES: COC1=CC=CC=C1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O

Technology Process of Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)-

There total 3 articles about Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-alpha-(phenylmethyl)-, (aR,gS)- 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:

(2R,4S)-2-Benzyl-1-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-4-hydroxy-5-(2-methoxy-phenyl)-pentan-1-one (194204-19-8) → (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methoxy-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide (181869-00-1)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol;

DOI:10.1016/0960-894X(96)00345-9

Reference yield:

methoxybenzene (100-66-3) → (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methoxy-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide (181869-00-1)

Guidance literature:

Multi-step reaction with 2 steps

2: HCl / propan-2-ol

With hydrogenchloride; In isopropyl alcohol;

DOI:10.1016/0960-894X(96)00345-9

Reference yield:

(R)-2-Benzyl-1-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-(S)-oxiranyl-propan-1-one (158512-24-4) → (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methoxy-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide (181869-00-1)

Guidance literature:

Multi-step reaction with 2 steps

2: HCl / propan-2-ol

With hydrogenchloride; In isopropyl alcohol;

DOI:10.1016/0960-894X(96)00345-9

upstream raw materials:

(2R,4S)-2-Benzyl-1-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-4-hydroxy-5-(2-methoxy-phenyl)-pentan-1-one

methoxybenzene

(R)-2-Benzyl-1-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-(S)-oxiranyl-propan-1-one

Downstream raw materials:

(2R,4S)-2-Benzyl-4-hydroxy-5-(2-hydroxy-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide