4-Nitrophenethylamine hydrochloride

Base Information

• Chemical Name: 4-Nitrophenethylamine hydrochloride
• CAS No.: 29968-78-3
• Molecular Formula: C8H11ClN2O2
• Molecular Weight: 202.641
• Hs Code.: 29214990
• European Community (EC) Number: 249-980-3
• Mol file: 29968-78-3.mol

Synonyms:29968-78-3;4-Nitrophenethylamine hydrochloride;4-Nitrophenylethylamine hydrochloride;4-Nitrophenethylamine HCl;2-(4-nitrophenyl)ethanamine hydrochloride;2-(4-Nitrophenyl)ethylamine hydrochloride;4-Nitro-phenethylamine hydrochloride;4-Nitrophenethylamine, HCl;Benzeneethanamine, 4-nitro-, monohydrochloride;MFCD00012900;2-(4-nitrophenyl)ethanamine;hydrochloride;2-(4-nitrophenyl)ethan-1-amine hydrochloride;2-(4-nitrophenyl)ethylazanium Chloride;EINECS 249-980-3;MFCD03095044;p-Nitrophenethylamine, hydrochloride;4-Nitrophcnethylamine;C8H10N2O2.ClH;SCHEMBL115247;p-nitrophenethylamine hydrochloride;P-NITROPHENYLETHYLAMINE HCL;BCP10667;p-nitrophenylethylamine hydrochloride;4--Nitrophenethylamine hydrochloride;4-nitrophenylethylamine?hydrochloride;AKOS005259928;CS-O-13561;SB36461;4-nitrophenylethylamine monohydrochloride;4-Nitrophenethylamine hydrochloride, 95%;AC-22485;AS-14588;SY021998;2-(4-nitrophenyl)-ethylamine hydrochloride;2-(4-nitro-phenyl)-ethylamine hydrochloride;AM20060602;CS-0011439;FT-0638895;N0648;4-Nitrophenethylamine hydrochloride, AldrichCPR;2-(4-nitro-phenyl)-ethylamine hydrochloride salt;Q-200504

Chemical Property of 4-Nitrophenethylamine hydrochloride

Chemical Property:

• Appearance/Colour: light yellow crystal
• Vapor Pressure: 0.000737mmHg at 25°C
• Melting Point: 200 °C (dec.)(lit.)
• Boiling Point: 307.2 °C at 760 mmHg
• Flash Point: 139.6 °C
• PSA: 71.84000
• Density: 1.206 g/cm³
• LogP: 3.12150
• Storage Temp.: 0-6°C
• Solubility.: Soluble in methanol almost transparency.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.0509053
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

99%min ^*data from raw suppliers

4-Nitrophenethylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN)[N+](=O)[O-].Cl
• Uses: 4-Nitrophenethylamine hydrochloride was used in the synthesis of ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide.

Technology Process of 4-Nitrophenethylamine hydrochloride

There total 10 articles about 4-Nitrophenethylamine 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: 99.0%

1-azido-2-(4'-nitrophenyl)ethane (70079-91-3) → 2-(4-nitrophenyl)ethylamine monohydrochloride (29968-78-3)

Guidance literature:

1-azido-2-(4'-nitrophenyl)ethane; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 84.7%

N-<2-(4-nitrophenyl)ethyl>acetamide (6270-07-1) → 2-(4-nitrophenyl)ethylamine monohydrochloride (29968-78-3)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 20h; pH=1; Reflux; Large scale;

Reference yield: 82.4%

C11H14N2O3 (250266-58-1) → 2-(4-nitrophenyl)ethylamine monohydrochloride (29968-78-3)

Guidance literature:

With hydrogenchloride; In methanol; water; for 15h; pH=3; Solvent; pH-value; Reflux; Large scale;

upstream raw materials:

2-phenylethylamine hydrochloride

phenethylamine

4-nitro-3-phenyl-L-alanine

N-<2-(4-nitrophenyl)ethyl>acetamide

Downstream raw materials:

N-[(2-chloroethoxy)carbonyl]-2-(4-nitrophenyl)ethylamine

N-benzyloxycarbonyl-4-nitrophenethylamine

N-[2-(4-nitrophenyl)ethyl]-4-methylbenzenesulfonamide

1N-[2-(4-Nitro-phenyl)-ethyl]-2,2-diphenyl-acetamide

Refernces

• 1、 -. "Production preparation method of p-nitrophenylethylamine hydrochloride". Paragraph 0063. . Retrieved 2018/03/23.
• 2、 Jackson, Douglas M.,Ashley, Robert L.,Brownfield, Callan B.,Morrison, Daniel R.,Morrison, Richard W.. "Rapid Conventional and Microwave-Assisted Decarboxylation of L-Histidine and Other Amino Acids via Organocatalysis with R-Carvone under Superheated Conditions". . p. 2691 - 2700. Retrieved 2015/12/18.