(S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane

Base Information

• Chemical Name: (S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane
• CAS No.: 233772-37-7
• Molecular Formula: C17H21 N
• Molecular Weight: 239.36
• Hs Code.: 2921490090
• European Community (EC) Number: 636-610-4
• DSSTox Substance ID: DTXSID00430808
• Nikkaji Number: J1.114.649J
• Wikidata: Q76411428
• Mol file: 233772-37-7.mol

Synonyms:(S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane;233772-37-7;(2S)-3-METHYL-1,1-DIPHENYLBUTAN-2-AMINE;Benzeneethanamine, alpha-(1-methylethyl)-beta-phenyl-, (alphaS)-;SCHEMBL5872345;DTXSID00430808;KJRIVAFIKUXDBL-KRWDZBQOSA-N;(S)-1,1-Diphenyl-3-methyl-2-butanamine;(S)-3-Methyl-1,1-diphenylbutan-2-amine;(S)-2-amino-3-methyl-1,1-diphenylbutane;FT-0772495;J-015091;(S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane, 98%

Chemical Property of (S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 73-76 ºC(lit.)
• Boiling Point: 349.5 ºC at 760 mmHg
• Flash Point: 159.5 ºC
• PSA: 26.02000
• Density: 0.997 g/cm³
• LogP: 4.50210
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 239.167399674
• Heavy Atom Count: 18
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

(S)-(?)-2-Amino-3-methyl-1,1-diphenylbutane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C1=CC=CC=C1)C2=CC=CC=C2)N
• Isomeric SMILES: CC(C)[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N
• Uses: (S)-(?)-2-Amino-3-methyl-1,1-diphenylbutane can be used as a chiral test compound in the enantio-separation of primary amines by supercritical fluid chromatography (SFC).

Technology Process of (S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane

There total 5 articles about (S)-(-)-2-Amino-3-methyl-1,1-diphenylbutane 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: 99.0%

(R)-2-methyl-N-((S)-3-methyl-1,1-diphenylbutan-2-yl)propane-2-sulfinamide → (S)-3-methyl-1,1-diphenylbutan-2-amine (233772-37-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.joc.8b00879

Reference yield: 72.0%

(S)-5,5-Diphenyl-4-isopropyl-1,3-oxazolidin-2-one (184346-45-0) → (S)-3-methyl-1,1-diphenylbutan-2-amine (233772-37-7)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; for 48h; under 2280 Torr;

DOI:10.1016/S0957-4166(99)00095-6

Reference yield:

2-amino-3-methyl-1,1-diphenylbutane (957220-36-9) → C17H21N (400870-29-3) + (S)-3-methyl-1,1-diphenylbutan-2-amine (233772-37-7)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In ethanol; n-heptane; trifluoroacetic acid; at 0 ℃; Purification / work up;

upstream raw materials:

(S)-5,5-Diphenyl-4-isopropyl-1,3-oxazolidin-2-one

1,1-diphenyl-L-valinol

2-amino-3-methyl-1,1-diphenylbutane

Diphenylmethane

Downstream raw materials:

(S)-ethyl 2-[N-benzyl-N-((1'S)-1-diphenylmethyl-2-methylpropyl)]amino-2-oxoacetate

(S)-2-[N-benzyl-N-((1'S)-diphenylmethyl-2-methylpropyl)]aminoethanoic acid

(2R)-methyl 2-[N-benzyl-N-((1'S)-diphenylmethyl-2-methylpropyl)]aminopropanoate

(S)-methyl 2-[N-benzyl-N-diphenylmethyl-(2-methylpropyl)]aminoacetate