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

Base Information

• Chemical Name: (R)-alpha-Methyl-4-nitrobenzylamine hydrochloride
• CAS No.: 57233-86-0
• Molecular Formula: C8H10N2O2^.HCl
• Molecular Weight: 202.641
• European Community (EC) Number: 624-723-1
• DSSTox Substance ID: DTXSID10583571
• Mol file: 57233-86-0.mol

Synonyms:57233-86-0;(R)-alpha-Methyl-4-nitrobenzylamine hydrochloride;(R)-1-(4-nitrophenyl)ethanamine hydrochloride;(1R)-1-(4-nitrophenyl)ethanamine hydrochloride;(1R)-1-(4-nitrophenyl)ethanamine;hydrochloride;MFCD00066311;(1R)-1-(4-Nitrophenyl)ethan-1-amine hydrochloride;(S)-1-(4-Nitrophenyl)ethylamine hydrochloride;(R)-alpha-Methyl-4-nitrobenzylamine HCl;SCHEMBL913941;(R)-1-(4-NITRO-PHENYL)-ETHYLAMINE hydrochloride;DTXSID10583571;CS-M0681;AM9378;AKOS015844291;(R)-1-(4-nitrophenyl)ethanamine HCl;AC-28402;DS-12737;EN300-395301;Y10258;A852354;(r)-1-(4-nitrophenyl)ethanamine hydrochloride salt;(S)- alpha -Methyl-4-nitrobenzylamine hydrochloride;J-502126;(+)-(R)-1-(4-Nitro-phenyl)-ethylamine hydrochloride;(R)-alpha-Methyl-4-nitrobenzylamine hydrochloride, 97%;(R)-1-(4-NITROPHENYL)ETHAN-1-AMINE HYDROCHLORIDE;(1R)-1-(4-Nitrophenyl)ethan-1-amine--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 248-250 °C(lit.)
• Boiling Point: 321.3 °C at 760 mmHg
• Flash Point: 148.1 °C
• PSA: 71.84000
• LogP: 3.64000
• Storage Temp.: Store below +30°C.
• 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:

99% ^*data from raw suppliers

(R)-α-Methyl-4-nitrobenzylamine hydrochloride ^*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

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

There total 2 articles about (R)-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:

(-)-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:

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

Guidance literature:

Reference yield: 98.0%

4-tert-butylbenzyl isothiocyanate (31088-81-0) + d-(+)-α-methyl-4-nitrobenzylamine hydrochloride (57233-86-0,132873-57-5,92203-66-2) → N-(4-t-butylbenzyl)-N'-[(1R)-1-(4-nitrophenyl)ethyl]thiourea (694529-13-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

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

Downstream raw materials:

(R)-[1-(4-nitrophenyl)ethyl]carbamic acid t-butyl ester

N-(4-t-butylbenzyl)-N'-[(1R)-1-(4-nitrophenyl)ethyl]thiourea

4-((R)-1-Amino-ethyl)-phenylamine

(R)-N-[4-(1-aminoethyl)phenyl]acetamide

Refernces

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