(R)-1-(2-Hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one

Base Information

• Chemical Name: (R)-1-(2-Hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one
• CAS No.: 158271-95-5
• Molecular Formula: C12H13 N O2
• Molecular Weight: 203.241
• Hs Code.: 29339980
• DSSTox Substance ID: DTXSID40369981
• Nikkaji Number: J1.581.255I
• Wikidata: Q82157276
• Mol file: 158271-95-5.mol

Synonyms:2H-Pyrrol-2-one,1,5-dihydro-1-(2-hydroxy-1-phenylethyl)-, (R)-

Chemical Property of (R)-1-(2-Hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one

Chemical Property:

• Vapor Pressure: 2.37E-08mmHg at 25°C
• Melting Point: 103 °C
• Refractive Index: 1.5260 (estimate)
• Boiling Point: 435.4°Cat760mmHg
• PKA: 14.23±0.10(Predicted)
• Flash Point: 217.1°C
• PSA: 40.54000
• Density: 1.249g/cm³
• LogP: 1.05630
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-(2-HYDROXY-1-PHENYLETHYL)-1,5-DIHYDROPYRROL-2-ONE 98.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(=O)N1C(CO)C2=CC=CC=C2
• Isomeric SMILES: C1C=CC(=O)N1[C@@H](CO)C2=CC=CC=C2

Technology Process of (R)-1-(2-Hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one

There total 2 articles about (R)-1-(2-Hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one 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: 75.0%

2,5-dihydro-2,5-dimethoxyfuran (332-77-4) + (S)-1-phenyl-1,2-ethanediol (25779-13-9) → 1-(2-hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one (158271-95-5)

Guidance literature:

With hydrogenchloride; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76705-0

Reference yield: 75.0%

2,5-dihydro-2,5-dimethoxyfuran (332-77-4) + D-2-phenylglycinol (56613-80-0) → 1-(2-hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one (158271-95-5)

Guidance literature:

With hydrogenchloride; for 3h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00024-X

Reference yield: 100.0%

1-(2-hydroxy-1-phenylethyl)-1,5-dihydropyrrol-2-one (158271-95-5) → (3R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazol-5-one (133007-27-9)

Guidance literature:

With amberlyst-15; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/S0957-4166(01)00195-1

upstream raw materials:

2,5-dihydro-2,5-dimethoxyfuran

(S)-1-phenyl-1,2-ethanediol

D-2-phenylglycinol

Downstream raw materials:

3-Benzyl-1-((R)-2-hydroxy-1-phenyl-ethyl)-1,5-dihydro-pyrrol-2-one

1-((R)-2-Hydroxy-1-phenyl-ethyl)-3-propyl-1,5-dihydro-pyrrol-2-one

1-((R)-2-Hydroxy-1-phenyl-ethyl)-3-methyl-1,5-dihydro-pyrrol-2-one

1-(2-hydroxy-1-phenylethyl)-pyrrolidin-2-one

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