(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride
• CAS No.: 130432-39-2
• Molecular Formula: C₁₇H₂₁NO*ClH
• Molecular Weight: 291.821
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID20595342
• Mol file: 130432-39-2.mol

Synonyms:130432-39-2;(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride;(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride;(2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol;hydrochloride;(s)- 2-amino-3-methyl-1,1-diphenyl-1-butanol;(S)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride;SCHEMBL6543858;DTXSID20595342;SFKYWFMBUVMWNG-NTISSMGPSA-N;AMY14798;(S)-2-amino-1,1-diphenyl-3-methylbutan-1-ol hydrochloride;(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-olhydrochloride;(S)-2-amino-3-methyl-l,l-diphenylbutan-1-ol hydrochloride;(2S)-2-AMINO-3-METHYL-1,1-DIPHENYLBUTAN-1-OL HYDROCHLORIDE;(2S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol--hydrogen chloride (1/1);Benzenemethanol, alpha-[(1S)-1-amino-2-methylpropyl]-alpha-phenyl-, hydrochloride (1:1)

Chemical Property of (S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride

Chemical Property:

• Vapor Pressure: 6.16E-09mmHg at 25°C
• Boiling Point: 451.4 °C at 760 mmHg
• Flash Point: 226.8 °C
• PSA: 46.25000
• LogP: 4.40810
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 291.1389920
• Heavy Atom Count: 20
• Complexity: 246

Purity/Quality:

99.5% ^*data from raw suppliers

(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N.Cl
• Isomeric SMILES: CC(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N.Cl

Technology Process of (S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride

There total 3 articles about (S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol hydrochloride 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%

1,1-diphenyl-L-valinol (78603-95-9) → (S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-aminium chloride (130432-39-2)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/adsc.201300266

Reference yield: 94.0%

3(S)-N-<(1,1-Dimethylethoxy)carbonyl>-α-(1-amino-2-methylpropyl)-α-phenylbenzenemethanol → (S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-aminium chloride (130432-39-2)

Guidance literature:

With methanol; acetyl chloride; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.200900109

Reference yield:

L-valine methylester hydrochloride (6306-52-1) + phenylmagnesium bromide (100-58-3) → (S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-aminium chloride (130432-39-2)

Guidance literature:

L-valine methylester hydrochloride; phenylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 3h;

With water; ammonium chloride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; tert-butyl methyl ether; water; ethyl acetate; at 0 ℃; pH=< 7;

upstream raw materials:

L-valine methylester hydrochloride

phenylmagnesium bromide

1,1-diphenyl-L-valinol

Refernces

• 1、 Bauer, Michael,Kazmaier, Uli. "Straightforward synthesis of chiral hydroxy isocyanides". experimental part. p. 2360 - 2366. Retrieved 2009/09/05.
• 2、 -. "Orally Bioavailable Caffeic Acid Related Anticancer Drugs". Page/Page column 18. . Retrieved 2008/06/13.