(3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol

Base Information

• Chemical Name: (3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol
• CAS No.: 156406-42-7
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.262
• Hs Code.: 2922190090
• European Community (EC) Number: 801-573-7
• Wikidata: Q76414961
• Mol file: 156406-42-7.mol

Synonyms:156406-42-7;(3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol;(S)-3-Amino-2,2-dimethyl-3-phenylpropan-1-ol;(3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol >99% e.e.;SCHEMBL20746075;AKOS016339855;SS-4638;CS-0447361;(3S)-3-Amino-2,2-dimethyl-3-phenylpropan-1-ol, >99% e.e.

Chemical Property of (3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol

Chemical Property:

• Boiling Point: 307.3±22.0 °C(Predicted)
• PKA: 14.93±0.10(Predicted)
• PSA: 46.25000
• Density: 1.031±0.06 g/cm3(Predicted)
• LogP: 2.40520
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

(3S)-3-Amino-2,2-dimethyl-3-phenylpropan-1-ol >97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(C1=CC=CC=C1)N
• Isomeric SMILES: CC(C)(CO)[C@H](C1=CC=CC=C1)N

Technology Process of (3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol

There total 13 articles about (3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol 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: 91.4%

methyl 3-amino-2,2-dimethyl-3-phenylpropanoate → α-amino, β,β-dimethylbenzenepropanol (156258-39-8,156406-42-7,83900-03-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

C13H16Cl3NO → α-amino, β,β-dimethylbenzenepropanol (156258-39-8,156406-42-7,83900-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: cesium iodide; phthaloyl peroxide / acetonitrile / 8 h / Irradiation; Inert atmosphere

2: hydrogenchloride / methanol; water / 2 h

With hydrogenchloride; phthaloyl peroxide; cesium iodide; In methanol; water; acetonitrile;

DOI:10.1002/anie.202008806

Reference yield:

C13H14Cl3NO → α-amino, β,β-dimethylbenzenepropanol (156258-39-8,156406-42-7,83900-03-2)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h;

DOI:10.1002/anie.202008806

upstream raw materials:

(2,2-Dimethyl-3-oxo-1-phenyl-propyl)-carbamic acid ethyl ester

benzaldehyde

3-((tert-butoxycarbonyl)amino)-2,2-dimethyl-3-phenylpropanoic acid

α-amino, β,β-dimethylbenzenepropanol

Downstream raw materials:

α-amino, β,β-dimethylbenzenepropanol

α-amino, β,β-dimethylbenzenepropanol