(S)-alpha-Methyl-4-nitrobenzylamine hydrochloride

Base Information

• Chemical Name: (S)-alpha-Methyl-4-nitrobenzylamine hydrochloride
• CAS No.: 132873-57-5
• Molecular Formula: C₈H₁₀N₂O₂*ClH
• Molecular Weight: 202.641
• Hs Code.: 2921499090
• European Community (EC) Number: 625-093-0
• DSSTox Substance ID: DTXSID50583570
• Mol file: 132873-57-5.mol

Synonyms:132873-57-5;(S)-1-(4-Nitrophenyl)ethanamine hydrochloride;(S)-alpha-Methyl-4-nitrobenzylamine hydrochloride;(S)-1-(4-Nitrophenyl)ethylamine hydrochloride;(1S)-1-(4-nitrophenyl)ethanamine;hydrochloride;(S)-Alpha-methyl-4-nitrobenzylamine, HCl;1-(S)-4-Nitrophenyl ethylamine hydrochloride;(1S)-1-(4-nitrophenyl)ethan-1-amine hydrochloride;(S)-(-)-alpha-methyl-4-nitrobenzylamine hydrochloride;Benzenemethanamine, alpha-methyl-4-nitro-, hydrochloride (1:1), (alphaS)-;EN300-224775;MFCD00066312;(S)-Nitresolve;(S)-Methyl-4-nitrobenzylamine Hydrochloride;(S)-1-(4-Nitrophenyl)ethanaminehydrochloride;(S)-|A-Methyl-4-nitrobenzylamine hydrochloride;SCHEMBL248092;(S)-1-(4-NITROPHENYL)-ETHYLAMINE hydrochloride;(S)-4-Nitro-a-methylbenzylamine;DTXSID50583570;CS-M0682;AM9113;AKOS005255326;AKOS015888988;(S)-1-(4-nitrophenyl)ethanamine HCl;AS-19527;N0543;(1S)-1-(4-nitrophenyl)ethanamine hydrochloride;(1S)-1-(4-nitrophenyl)ethylamine hydrochloride;A806512;(R)- alpha -Methyl-4-nitrobenzylamine hydrochloride;(S)-alpha-Methyl-4-nitrobenzylamine hydrochloride, 97%;(S)-1-(4-NITROPHENYL)ETHAN-1-AMINE HYDROCHLORIDE;Benzenemethanamine,a-methyl-4-nitro-,hydrochloride(1:1),(as)-;(1S)-1-(4-Nitrophenyl)ethan-1-amine--hydrogen chloride (1/1);(S)-alpha-Methyl-4-nitrobenzylamine hydrochloride, puriss., >=99.0% (HPLC)

Chemical Property of (S)-alpha-Methyl-4-nitrobenzylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 248-250 °C(lit.)
• Refractive Index: -7.2 ° (C=1, 0.05mol/L NaOH)
• Boiling Point: 321.3°Cat760mmHg
• Flash Point: 148.1°C
• PSA: 71.84000
• Density: g/cm³
• LogP: 3.64000
• Storage Temp.: Store below +30°C.
• Water Solubility.: faint turbidity
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.0509053
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

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

(S)-1-(4-Nitrophenyl)ethanamineHydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)[N+](=O)[O-])N.Cl
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N.Cl
• Uses: (S)-α-Methyl-4-nitrobenzylamine hydrochloride can be used as:A fluorescence-quenching guest in the determination of chiral recognition capabilities of binaphthocrown ether and polythiophene complex.A starting material in the synthesis of chiral cyclopalladated complexes with applications in the resolution of racemic compounds.

Technology Process of (S)-alpha-Methyl-4-nitrobenzylamine hydrochloride

There total 7 articles about (S)-alpha-Methyl-4-nitrobenzylamine 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:

(S)-1-phenyl-ethylamine (2627-86-3) → (S)-(-)-α-methyl-4-nitrobenzylamine hydrochloride (132873-57-5,92203-66-2)

Guidance literature:

With hydrogenchloride; nitric acid; In ethanol;

Reference yield:

(-)-p-nitro-α-methylbenzylamine hydrochloride (132873-57-5,92203-66-2) → d-(+)-α-methyl-4-nitrobenzylamine hydrochloride (57233-86-0,132873-57-5,92203-66-2) + (S)-(-)-α-methyl-4-nitrobenzylamine hydrochloride (132873-57-5,92203-66-2)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In methanol; acetic acid; triethylamine; acetonitrile; at 20 ℃; Purification / work up;

Reference yield:

(-)-p-nitro-α-methylbenzylamine hydrochloride (132873-57-5,92203-66-2) → d-(+)-α-methyl-4-nitrobenzylamine hydrochloride (57233-86-0,132873-57-5,92203-66-2) + (S)-(-)-α-methyl-4-nitrobenzylamine hydrochloride (132873-57-5,92203-66-2)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In methanol; acetic acid; triethylamine; acetonitrile; at 20 ℃; Purification / work up;

upstream raw materials:

(-)-p-nitro-α-methylbenzylamine hydrochloride

1,2-dimethoxyethane

(S)-1-phenyl-ethylamine

Downstream raw materials:

(S)-tert-butyl 1-(4-(6-chloronicotinamido)phenyl)ethylcarbamate

(S)-N-(4-(1-aminoethyl)phenyl)-6-chloronicotinamide

(R)-2-{acetyl-[(S)-1-(4-nitro-phenyl)-ethyl]-amino}-N-benzyl-3-methoxy-propionamide

(S)-2-{acetyl-[(S)-1-(4-nitro-phenyl)-ethyl]-amino}-N-benzyl-3-methoxy-propionamide

Refernces

• 1、 -. "COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS". Page/Page column 45-49; 62. . Retrieved 2010/12/31.
• 2、 -. "Chlorocitric acids". . . Retrieved 2008/06/13.