(R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine

Base Information

• Chemical Name: (R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine
• CAS No.: 134430-93-6
• Molecular Formula: C17H21 N O2
• Molecular Weight: 271.359
• Hs Code.: 2922299090
• European Community (EC) Number: 634-381-5
• Nikkaji Number: J1.942.063I
• Mol file: 134430-93-6.mol

Synonyms:134430-93-6;(R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine;(R)-(+)-(3,4-dimethoxy)benzyl-1-phenylethylamine;(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;SCHEMBL4073722;UPMJXBLRDCBHGF-CYBMUJFWSA-N;CS-D0452;MFCD00269670;AKOS017385178;AS-39960;(R)-N-(3,4-dimethoxybenzyl)-1-phenylethylamine;A806779;(r)-n-(3,4-dimethoxybenzyl)-1-phenylethan-1-amine;(R)-(-)-(3,4-dimethoxybenzyl)-(1-phenylethyl)amine;[(3,4-DIMETHOXYPHENYL)METHYL][(1R)-1-PHENYLETHYL]AMINE

Chemical Property of (R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine

Chemical Property:

• Vapor Pressure: 7.47E-06mmHg at 25°C
• Refractive Index: 1.5022 (estimate)
• Boiling Point: 376°Cat760mmHg
• PKA: 8.33±0.19(Predicted)
• Flash Point: 160.9°C
• PSA: 30.49000
• Density: g/cm³
• LogP: 3.94550
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 271.157228913
• Heavy Atom Count: 20
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

(R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamineHydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)OC
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)OC

Technology Process of (R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine

There total 2 articles about (R)-N-(3,4-Dimethoxybenzyl)-1-phenylethanamine 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: 98.67%

(R)-1-phenyl-ethyl-amine (3886-69-9) + 3,4-dimethoxy-benzaldehyde (120-14-9) → (R)-N-(3,4-dimethoxybenzyl)-N-(α-methylbenzyl)amine (134430-93-6,308273-67-8,680185-65-3)

Guidance literature:

With sodium borohydrid; In methanol;

Reference yield: 94.55%

→ (R)-N-(3,4-dimethoxybenzyl)-N-(α-methylbenzyl)amine (134430-93-6,308273-67-8,680185-65-3)

Guidance literature:

Reference yield: 92.0%

R-{(C5H5)Fe(CO)(PPh3)(COCHCHMe)} + (R)-N-(3,4-dimethoxybenzyl)-N-(α-methylbenzyl)amine (134430-93-6,308273-67-8,680185-65-3) → (R,R,R)-{(C5H5)Fe(CO)(PPh3)(COCH2CHMe(N(CH2C6H3(OMe)2)CH(Me)Ph))}

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; under N2 atm. n-BuLi in hexane was added at -78°C to (R)-N-3,4-dimethoxybenzyl-N-α-methylbenzylamine in THF, stirred for 30 min, soln. Fe complex in THF was added at -78°C; MeOH was added, allowed to warm. to room temp., and concd. in vacuo, residue was extd. into CH2Cl2, filtered through alumina, concd. in vacuo, and chromed. on alumina (CH2Cl2:Et2O 1:1); elem. anal.;

DOI:10.1016/j.jorganchem.2004.04.046

upstream raw materials:

(R)-1-phenyl-ethyl-amine

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

methyl (3R,αR)-3-(N-3,4-dimethoxybenzyl-N-α-methylbenzylamino)butanoate

tert-butyl (3R,αR)-3-(N-3,4-dimethoxybenzyl-N-α-methylbenzylamino)butanoate

benzyl (3R,αR)-3-(N-3,4-dimethoxybenzyl-N-α-methylbenzylamino)butanoate

methyl (1R,2S,5S,αS)-2-[N-benzyl-N-(α-methylbenzyl)amino]-5-tris(phenylthio)methylcyclopentanecarboxylate