(S)-3-Methyl-1-phenylbutan-1-amine hydrochloride

Base Information

• Chemical Name: (S)-3-Methyl-1-phenylbutan-1-amine hydrochloride
• CAS No.: 1173110-86-5
• Molecular Formula: C11H17N
• Molecular Weight: 199.72032
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID40704176
• Mol file: 1173110-86-5.mol

Synonyms:(S)-3-Methyl-1-phenylbutan-1-amine hydrochloride;1173110-86-5;1269470-38-3;(S)-3-METHYL-1-PHENYLBUTAN-1-AMINE-HCl;(1S)-3-methyl-1-phenylbutan-1-amine;hydrochloride;(S)-3-methyl-1-phenylbutan-1-amine HCl;(1S)-3-methyl-1-phenylbutan-1-amine hydrochloride;SCHEMBL16292126;DTXSID40704176;MFCD12910551;AKOS015923191;AKOS015969089;CS-16464;CS-0097724;(S)-3-Methyl-1-phenylbutan-1-aminehydrochloride;(1S)-3-Methyl-1-phenylbutan-1-amine--hydrogen chloride (1/1);Benzenemethanamine, alpha-(2-methylpropyl)-, hydrochloride (1:1), (alphaS)-

Chemical Property of (S)-3-Methyl-1-phenylbutan-1-amine hydrochloride

Chemical Property:

• Boiling Point: 237.2±9.0 °C(Predicted)
• PKA: 9.27±0.10(Predicted)
• PSA: 26.02000
• Density: 0.924±0.06 g/cm3(Predicted)
• LogP: 4.23480
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 199.1127773
• Heavy Atom Count: 13
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Methyl-1-phenylbutan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-3-Methyl-1-phenylbutan-1-amine hydrochloride

There total 16 articles about (S)-3-Methyl-1-phenylbutan-1-amine 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: 97.26%

C15H25NO2S → (R)-3-methyl-1-phenylbutylamine (1173110-88-7,1173110-86-5)

Guidance literature:

With aluminum (III) chloride; methoxybenzene; In 1,2-dichloro-ethane; at 20 ℃; for 5h;

Reference yield: 76.0%

(1-azido-3-methylbutyl)benzene → 3-methyl-1-phenylbutan-1-amine (42290-97-1,1173110-86-5)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; at 20 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1039/c7ob02598j

Reference yield: 60.0%

3-methyl-1-phenylbutan-1-one (582-62-7) → 3-methyl-1-phenylbutan-1-amine (42290-97-1,1173110-86-5)

Guidance literature:

3-methyl-1-phenylbutan-1-one; With ammonium acetate; sodium cyanoborohydride; In methanol; at 20 ℃; for 72h; Molecular sieve; Inert atmosphere;

With hydrogenchloride; In methanol; water;

With sodium hydroxide; In water;

DOI:10.1016/j.bmc.2009.11.023

upstream raw materials:

3-methyl-1-phenylbutan-1-one

benzonitrile

styrene

(R)-N-benzylidene-2-methylpropane-2-sulfinamide

Downstream raw materials:

benzylidene-(3-methyl-1-phenyl-butyl)-amine

(1R,2R)-2-((S)-3-Methyl-1-phenyl-butylamino)-1,2-diphenyl-ethanol

N-(1-phenyl-3-methylbutyl)-1,2-diphenyl-2-aminoethanol

C₂₉H₃₉ClN₄O₂*C₄H₄O₄