(-)-Bis[(S)-1-phenylethyl]amine hydrochloride

Base Information

• Chemical Name: (-)-Bis[(S)-1-phenylethyl]amine hydrochloride
• CAS No.: 40648-92-8
• Molecular Formula: C16H19 N . Cl H
• Molecular Weight: 261.794
• Hs Code.: 2921499090
• European Community (EC) Number: 628-814-7
• DSSTox Substance ID: DTXSID20493490
• Mol file: 40648-92-8.mol

Synonyms:40648-92-8;(-)-Bis[(S)-1-phenylethyl]amine hydrochloride;(S)-Bis((S)-1-phenylethyl)amine hydrochloride;(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;hydrochloride;(S,S)-(-)-Bis(alpha-methylbenzyl)amine Hydrochloride;(-)-Bis[(s)-1-phenylethyl]amine, HCl;BIS[(1S)-1-PHENYLETHYL]AMINE HYDROCHLORIDE;MFCD00216671;rel-(S)-Bis((S)-1-phenylethyl)amine hydrochloride;SCHEMBL2469805;DTXSID20493490;AKOS015844235;AKOS015889193;CS-W012487;AS-66600;A6793;(S)-Bis((S)-1-phenylethyl)aminehydrochloride;Bis[(S)--methylphenylmethyl]amine hydrochloride;D75690;EN300-252187;T70889;(S,S)-(-)-BIS(ALPHA-METHYLBENZYL)AMINE HCL;Bis[(|AS)-|A-methylphenylmethyl]amine hydrochloride;(-)-Bis[(S)-1-phenylethyl]amine hydrochloride, >=98.0% (AT);(1S)-1-Phenyl-N-[(1S)-1-phenylethyl]ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of (-)-Bis[(S)-1-phenylethyl]amine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Melting Point: 261-263oC(lit.)
• Refractive Index: -73 ° (C=3, EtOH)
• Boiling Point: 296.5°Cat760mmHg
• Flash Point: 137.2°C
• PSA: 12.03000
• Density: g/cm³
• LogP: 5.29130
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 261.1284273
• Heavy Atom Count: 18
• Complexity: 180

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S,S)-(-)-Bis(α-methylbenzyl)amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(C)C2=CC=CC=C2.Cl
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2.Cl
• Uses: (?)-Bis[(S)-1-phenylethyl]amine hydrochloride can be used:To prepare phosphoramidite (Feringa) ligand named (R)-2,2′-binaphthoyl-(S,S)-di-(1-phenylethyl)aminoylphosphine.As a chiral amphiphilic cation to encapsulate polyoxometalates, which act as supramolecular assemblies employed in the asymmetric oxidation of sulfides.As a chiral shift agent in the determination of enantiomeric purity of tris(tetrachlorobenzenediolato) phosphate(V) anion using 31P NMR.

Technology Process of (-)-Bis[(S)-1-phenylethyl]amine hydrochloride

There total 19 articles about (-)-Bis[(S)-1-phenylethyl]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: 51.0%

(2R, 4R, 5S, 3'R)-N,N-bis(1-phenylethyl)-1,2-diphenyl-2-aminoethanol (82087-17-0,82111-36-2,82111-37-3,82111-38-4,82111-39-5) → (R,R)-(+)-bis[alpha-methylbenzyl]amine hydrochloride (40648-92-8,82087-18-1,82398-30-9,98222-61-8)

Guidance literature:

With lead(IV) acetate; In benzene;

Reference yield: 48.5%

(2R, 4S, 5S, 3'R)-(+)-N,N-bis(1-phenylethyl)-1,2-diphenyl-2-aminoethanol (82087-17-0,82111-36-2,82111-37-3,82111-38-4,82111-39-5) → (R,R)-(+)-bis[alpha-methylbenzyl]amine hydrochloride (40648-92-8,82087-18-1,82398-30-9,98222-61-8)

Guidance literature:

With lead(IV) acetate; In benzene; at 50 - 60 ℃; for 5h;

Reference yield:

bis(1-phenylethyl)amine hydrochloride (40648-92-8,82087-18-1,82398-30-9,98222-61-8) → (R,R)-(+)-bis[alpha-methylbenzyl]amine hydrochloride (40648-92-8,82087-18-1,82398-30-9,98222-61-8) + hydrochloride salt of (1S,1'S)-bis(1-phenylethyl)amine (40648-92-8)

Guidance literature:

With N-[(R)-1-(1-naphthyl)ethyl]carbamoyl-derivatized cyclofructan-6 column; In ethanol; n-heptane; trifluoroacetic acid; at 20 ℃; Resolution of racemate;

DOI:10.1021/ac902257a

upstream raw materials:

(2R, 4S, 5S, 3'R)-(+)-N,N-bis(1-phenylethyl)-1,2-diphenyl-2-aminoethanol

(2R, 4R, 5S, 3'R)-N,N-bis(1-phenylethyl)-1,2-diphenyl-2-aminoethanol

(R)-N-(α-methylbenzylidene)-α-methylbenzylamine

(R)-1-phenyl-ethyl-amine

Downstream raw materials:

(R,R)-(+)-bis[alpha-methylbenzyl]amine hydrochloride

(3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-bis-(1-phenyl-ethyl)-amine

N,N-bis-[(S)-1-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine

C₃₆H₃₈NO₂P

Refernces

• 1、 -. "COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS". Page/Page column 45-49; 54. . Retrieved 2010/12/31.
• 2、 Clayden, Jonathan,Knowles, Faye E.,Menet, Christel J.. "Synthesis of α-methyl kainic acid by stereospecific lithiation-dearomatizing cyclization of a chiral benzamide". . p. 3397 - 3400. Retrieved 2007/10/03.