(S)-(+)-2-Benzylamino-1-phenylethanol

Base Information

• Chemical Name: (S)-(+)-2-Benzylamino-1-phenylethanol
• CAS No.: 51096-49-2
• Molecular Formula: C15H17NO
• Molecular Weight: 227.306
• Hs Code.: 29062990
• European Community (EC) Number: 623-522-6
• DSSTox Substance ID: DTXSID80426103
• Nikkaji Number: J663.239D
• Wikidata: Q72440633
• Mol file: 51096-49-2.mol

Synonyms:51096-49-2;S-(-)-2-Benzylamino-1-phenylethanol;(S)-(+)-2-Benzylamino-1-phenylethanol;(1S)-2-(benzylamino)-1-phenylethanol;(S)-2-(Benzylamino)-1-phenylethanol;(1S)-2-(benzylamino)-1-phenylethan-1-ol;MFCD03427123;(1S)-2-(benzylamino)-1-phenyl-ethanol;(S)-2-(benzylamino)-1-phenylethan-1-ol;SCHEMBL2289990;DTXSID80426103;(S)-2-Benzylamino-1-phenylethanol;FD1196;(S)-1-Phenyl-2-(benzylamino)ethanol;AKOS015855398;AC-5682;CS-W013004;DS-1790;(S)-(+)-2-Benzylamino-1-phenylethanol, 97%;A828436

Chemical Property of (S)-(+)-2-Benzylamino-1-phenylethanol

Chemical Property:

• Vapor Pressure: 2.69E-06mmHg at 25°C
• Melting Point: 115-118 °C(lit.)
• Refractive Index: 1.593
• Boiling Point: 375.2 °C at 760 mmHg
• PKA: 13.78±0.20(Predicted)
• Flash Point: 127.3 °C
• PSA: 32.26000
• Density: 1.1 g/cm³
• LogP: 2.90070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 227.131014166
• Heavy Atom Count: 17
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

S-(-)-2-Benzylamino-1-phenylethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O
• Isomeric SMILES: C1=CC=C(C=C1)CNC[C@H](C2=CC=CC=C2)O
• Uses: (S)-(+)-2-Benzylamino-1-phenylethanol can be used as an intermediate in the synthesis of aziridines using α-amino and α-amido ketones via asymmetric transfer?hydrogenation?reaction.

Technology Process of (S)-(+)-2-Benzylamino-1-phenylethanol

There total 54 articles about (S)-(+)-2-Benzylamino-1-phenylethanol 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: 100.0%

2-(benzylamino)-1-phenylethanone hydrochloride (101089-40-1) → (S)-(+)-2-(N-Benzylamino)-1-phenylethanol (51096-49-2)

Guidance literature:

With hydrogen; triethylamine; (2S,4S)-MCCPM-rhodium; In methanol; at 50 ℃; for 20h; under 15200 Torr;

DOI:10.1016/S0040-4039(00)95203-1

Reference yield: 98.0%

styrene oxide (96-09-3) + benzylamine (100-46-9) → 2-benzylamino-1-phenyl-ethanol (51096-49-2,91579-12-3,107171-75-5,27159-30-4)

Guidance literature:

With acetic acid; In neat (no solvent); at 20 ℃; for 1h; regioselective reaction;

DOI:10.1039/c9cc09048g

Reference yield: 97.0%

3-benzyl-5-phenyloxazolidin-2-one (117416-53-2) → 2-benzylamino-1-phenyl-ethanol (51096-49-2,91579-12-3,107171-75-5,27159-30-4)

Guidance literature:

With sodium hydroxide; In diethylene glycol; at 130 - 140 ℃;

upstream raw materials:

styrene oxide

benzylamine

2,5-diphenyloxazole

α-(N-Benzylamino)acetophenone

Downstream raw materials:

N-Benzyl-2-brom-2-phenyl-aethylamin

2--1-phenylethanol

1-[Benzyl-(2-hydroxy-2-phenyl-ethyl)-amino]-propan-2-one

3-[Benzyl-(2-hydroxy-2-phenyl-ethyl)-amino]-1-phenyl-propan-1-one

Refernces

• 1、 Gupta, Padmini,Garkoti, Charu,Shabir, Javaid,Surabhi,Sah, Digvijay,Mozumdar, Subho. "Amine grafted Fe3O4 immobilized graphene oxide as a recyclable and effectual nanocomposite for the regioselective ring opening reaction". . p. 4013 - 4028. Retrieved 2021/06/25.
• 2、 Laayati, Mouhsine,Hasnaoui, Ali,Abdallah, Nayad,Oubaassine, Saadia,Fkhar, Lahcen,Mounkachi, Omar,El Houssame, Soufiane,Ait Ali, Mustapha,El Firdoussi, Larbi. "M-Type SrFe12O19Ferrite: An Efficient Catalyst for the Synthesis of Amino Alcohols under Solvent-Free Conditions". . . Retrieved 2020/08/05.