(S)-(-)-1-(p-Tolyl)ethylamine

Base Information

• Chemical Name: (S)-(-)-1-(p-Tolyl)ethylamine
• CAS No.: 27298-98-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30426759
• Nikkaji Number: J57.034F
• Wikidata: Q72494825
• Mol file: 27298-98-2.mol

Synonyms:27298-98-2;(S)-1-(p-Tolyl)ethanamine;(S)-(-)-1-(p-Tolyl)ethylamine;(1S)-1-(4-methylphenyl)ethanamine;(1S)-1-(4-Methylphenyl)Ethan-1-Amine;(S)-1-p-tolylethanamine;(S)-(-)-1-(4-Methylphenyl)ethylamine;(S)-1-(p-tolyl)ethylamine;EC 623-635-0;(1S)-1-(p-Tolyl)ethanamine;1-(4-Methylphenyl)ethanamine #;(R)-(+)-4-(1-Aminoethyl)toluene;SCHEMBL334558;DTXSID30426759;(S)-1-(p-methylphenyl)ethylamine;(S)-1-(4-methylphenyl)ethylamine;AMY22005;STR05808;(s)-1-(4-methylphenyl)ethyl-amine;(1S)-1-(4-methylphenyl)ethylamine;(S)-1-(4-methylphenyl)-ethylamine;MFCD00145246;AKOS015969094;(S)-(-)- alpha ,4-Dimethylbenzylamine;(AlphaS)-alpha,4-dimethylbenzenemethanamine;A5311;CS-0000292;T1380;(S)-(-)-alpha,4-Dimethylbenzylamine, 98%;(S)-1-(4-METHYL-PHENYL)-ETHYLAMINE;EN300-112619;J-501776;(S)-(-)-alpha,4-Dimethylbenzylamine, ChiPros(R), produced by BASF, 99%

Chemical Property of (S)-(-)-1-(p-Tolyl)ethylamine

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.212mmHg at 25°C
• Melting Point: <-20 °C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 208.6 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 84.2 °C
• PSA: 26.02000
• Density: 0.945 g/cm³
• LogP: 2.71500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

(S)-(?)-α,4-Dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C)N
• Isomeric SMILES: CC1=CC=C(C=C1)[C@H](C)N

Technology Process of (S)-(-)-1-(p-Tolyl)ethylamine

There total 67 articles about (S)-(-)-1-(p-Tolyl)ethylamine 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: 91.0%

(2S)-2-({[(1R)-1-(4-methylphenyl)ethyl]amino}oxy)-2-phenylethanol (368447-72-7) → (R)-4'-methyl-1-phenylethylamine (586-70-9,4187-38-6,27298-98-2,42070-98-4) + (S)-1-phenyl-1,2-ethanediol (25779-13-9)

Guidance literature:

With hexacarbonyl molybdenum; In water; acetonitrile; at 85 ℃; for 1h;

DOI:10.1021/jo049517+

Reference yield: 88.0%

(S)-1-(4-methylphenyl)ethylamine (27298-98-2) → (R)-4'-methyl-1-phenylethylamine (586-70-9,4187-38-6,27298-98-2,42070-98-4)

Guidance literature:

With nickel; at 110 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejic.201300074

Reference yield: 87.0%

2,2-Dimethyl-N-{(R)-1-[2-((R)-(R)-1-p-tolyl-ethylsulfinamoyl)-phenyl]-ethyl}-propionamide → (R)-4'-methyl-1-phenylethylamine (586-70-9,4187-38-6,27298-98-2,42070-98-4)

Guidance literature:

With trifluoroacetic acid; In methanol;

DOI:10.1039/p19960000691

upstream raw materials:

1-(p-tolyl)ethylamine

para-methylacetophenone

1-p-tolylethanone oxime

(1R)-2-({[(1S)-1-(4-methylphenyl)ethyl]amino}oxy)-1-phenylethanol

Downstream raw materials:

2-Amino-1-((S)-1-p-tolyl-ethyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

ethylbenzene

(R)-4'-methyl-1-phenylethylamine

2-[(S)-1-(4-Methylphenyl)ethylamino]-4-[benzimidazol-1-yl]pyrimidine