3-Nitrophenylethylamine

Base Information

• Chemical Name: 3-Nitrophenylethylamine
• CAS No.: 83304-13-6
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00513706
• Nikkaji Number: J1.299.637C
• Wikidata: Q82373640
• Mol file: 83304-13-6.mol

Synonyms:3-Nitrophenylethylamine;83304-13-6;2-(3-nitrophenyl)ethanamine;3-nitrophenethylamine;3-Nitro-phenethylamine;2-(3-nitrophenyl)ethan-1-amine;Benzeneethanamine, 3-nitro-;2-(3-Nitrophenyl)ethylamine;m-Nitrophenylathylamin;3-nitrophenylethyl amine;SCHEMBL1048614;[2-(3-nitrophenyl)ethyl]amine;DTXSID00513706;WEPKDBHGQDETGY-UHFFFAOYSA-N;MFCD06212672;AKOS005217792;GS-4516;SB38924;FT-0600908;EN300-149579;A840555

Chemical Property of 3-Nitrophenylethylamine

Chemical Property:

• Vapor Pressure: 0.00242mmHg at 25°C
• Melting Point: 211-215 °C
• Refractive Index: 1.601
• Boiling Point: 304.024 °C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 137.669 °C
• PSA: 71.84000
• Density: 1.206 g/cm³
• LogP: 2.31950
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Nitrophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCN
• Uses: 2-(3-Nitrophenyl)ethanamine can be used as TRPM8 inhibitors to treat diseases or conditions caused by hyperexcitability of afferent nerves.

Technology Process of 3-Nitrophenylethylamine

There total 15 articles about 3-Nitrophenylethylamine 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: 100.0%

(3-nitrophenyl)acetonitrile (621-50-1) → 2-(3-nitrophenyl)ethylamine (83304-13-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 7h; Reflux;

DOI:10.1039/c0cc05282e

Reference yield: 99.0%

→ 2-(3-nitrophenyl)ethylamine (83304-13-6)

Guidance literature:

Reference yield: 77.0%

(E)-1-nitro-3-(2-nitrovinyl)benzene (882-26-8,34441-47-9) → 2-(3-nitrophenyl)ethylamine (83304-13-6)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; for 6.5h; Inert atmosphere; Reflux;

DOI:10.1021/acs.joc.8b02888

upstream raw materials:

3-(3-nitrophenyl)propanamide

nitric acid

phenethylamine

(3-nitrophenyl)acetonitrile

Downstream raw materials:

3-nitrobenzoic acid

C₃₂H₃₉N₃O₅Si

N-(2,6-dichlorobenzyl)-N'-[3-(2-{[(2R,S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}ethyl)phenyl]urea

N-(diphenylmethyl)-N'-[3-(2-{[(2R,S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}ethyl)phenyl]urea