(+)-Halostachine

Base Information

• Chemical Name: (+)-Halostachine
• CAS No.: 65058-52-8
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• UNII: GPI3LS233B
• Nikkaji Number: J56.804J
• Mol file: 65058-52-8.mol

Synonyms:(+)-Halostachine;65058-52-8;Halostachine, (+)-;(1S)-2-(methylamino)-1-phenylethanol;(S)-(+)-Halostachine;(1S)-2-(methylamino)-1-phenylethan-1-ol;(S)-2-Methylamino-1-phenylethanol;UNII-GPI3LS233B;GPI3LS233B;(S)-2-(1-Hydroxy-2-(methylamino)ethyl)benzene;Benzenemethanol, alpha-((methylamino)methyl)-, (alphaS)-;SCHEMBL5076853;NIOSH/DO9660000;ZCTYHONEGJTYQV-SECBINFHSA-N;AKOS032464697;l-1-Phenyl-1-oxy-2-(methylamino)-aethan;l-alpha-((Methylamino)methyl)benzyl alcohol;DO96600000;Benzyl alcohol, alpha-((methylamino)methyl)-, l-;l-1-Phenyl-1-oxy-2-(methylamino)-aethan [German];Benzenemethanol, alpha-((methylamino)methyl)-, (-)-;Q27279223;F1909-1621;BENZENEMETHANOL, .ALPHA.-((METHYLAMINO)METHYL)-, (.ALPHA.S)-

Chemical Property of (+)-Halostachine

Chemical Property:

• Melting Point: 45-47 °C
• Boiling Point: 244.1±7.0 °C(Predicted)
• PKA: 14.03±0.20(Predicted)
• PSA: 32.26000
• Density: 1.036±0.06 g/cm3(Predicted)
• LogP: 1.33030
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC(C1=CC=CC=C1)O
• Isomeric SMILES: CNC[C@H](C1=CC=CC=C1)O

Technology Process of (+)-Halostachine

There total 18 articles about (+)-Halostachine 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-(methylamino)-1-phenylethanone hydrochloride (23826-47-3) → N-methyl (S)-2-hydroxy-2-phenylethylamine (65058-52-8,6589-55-5)

Guidance literature:

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

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

Reference yield: 91.0%

(5S)-3-methyl-5-phenyl-2-oxazolidinone (913289-36-8) → N-methyl (S)-2-hydroxy-2-phenylethylamine (65058-52-8,6589-55-5)

Guidance literature:

With potassium hydroxide; In water; at 50 ℃; for 3h;

DOI:10.1016/j.tetasy.2006.07.017

Reference yield: 44.0%

2-(methylamino)-1-phenylethanol (68579-60-2,6589-55-5) + vinyl acetate (108-05-4,9003-20-7) → (R)-2-(methylamino)-1-phenylethyl acetate + N-methyl (S)-2-hydroxy-2-phenylethylamine (65058-52-8,6589-55-5)

Guidance literature:

With Pseudomonas lipase type XIII; In tert-butyl methyl ether; water; at 51.5 ℃; for 4h; Resolution of racemate; Enzymatic reaction;

DOI:10.1016/j.procbio.2013.04.019

upstream raw materials:

2-(methylamino)-1-phenylethanol

2-(methylamino)-1-phenylethanone hydrochloride

(S)-Mandelic acid

methylamine

Downstream raw materials:

(+)-(S)-2-{t-butoxycarbonyl(methyl)amino}-1-phenylethanol

(+)-(S)-N-(3,5-dimethoxyphenethyl)halostachine

(S)-2-(3,4-Dimethoxy-benzyl)-3-methyl-5-phenyl-oxazolidine

(5S)-2-chloro-3-methyl-5-phenyl-1,3,2-oxazaphospholidine