2-(1-phenyl-1H-pyrazol-4-yl)ethanamine

Base Information

• Chemical Name: 2-(1-phenyl-1H-pyrazol-4-yl)ethanamine
• CAS No.: 369652-04-0
• Molecular Formula: C11H13N3
• Molecular Weight: 187.244
• Hs Code.: 2933199090
• European Community (EC) Number: 838-045-0
• DSSTox Substance ID: DTXSID40424387
• Wikidata: Q82236941
• ChEMBL ID: CHEMBL4540405
• Mol file: 369652-04-0.mol

Synonyms:2-(1-phenyl-1H-pyrazol-4-yl)ethanamine;369652-04-0;2-(1-phenylpyrazol-4-yl)ethanamine;2-(1-Phenyl-1H-pyrazol-4-yl)-ethylamine;2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine;2-(1-phenylpyrazol-4-yl)ethylamine;SCHEMBL2241242;CHEMBL4540405;DTXSID40424387;HMS1698P07;STK352575;AKOS000200629;2-(1-Phenyl-1H-pyrazol-4-yl)ethylamine;[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]amine;CS-0270135;FT-0739511;EN300-26636;A874233;J-505403;Z227828916

Chemical Property of 2-(1-phenyl-1H-pyrazol-4-yl)ethanamine

Chemical Property:

• PSA: 43.84000
• LogP: 2.07380
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C=N2)CCN

Technology Process of 2-(1-phenyl-1H-pyrazol-4-yl)ethanamine

There total 2 articles about 2-(1-phenyl-1H-pyrazol-4-yl)ethanamine 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: 76.0%

4-(2-nitroethenyl)-1-phenyl-1H-pyrazole → 2-(1-phenyl-1H-pyrazol-4-yl)-ethylamine (369652-04-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 48h; Heating;

DOI:10.1002/1521-4184(200107)334:7<241::AID-ARDP241>3.0.CO;2-B

Reference yield:

1-phenyl-1H-pyrazole-4-carbaldehyde (54605-72-0) → 2-(1-phenyl-1H-pyrazol-4-yl)-ethylamine (369652-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / glac. HOAc; piperidine / ethanol / 20 °C

2: 76 percent / LiAlH₄ / tetrahydrofuran / 48 h / Heating

With piperidine; lithium aluminium tetrahydride; acetic acid; In tetrahydrofuran; ethanol;

DOI:10.1002/1521-4184(200107)334:7<241::AID-ARDP241>3.0.CO;2-B

Reference yield: 55.0%

4,9-Dihydropyrano<3,4-b>indol-1(3H)-on (6250-88-0) + 2-(1-phenyl-1H-pyrazol-4-yl)-ethylamine (369652-04-0) → 3-(2-hydroxy-ethyl)-1H-indole-2-carboxylic acid [2-(1-phenyl-1H-pyrazol-4-yl)-ethyl]-amide

Guidance literature:

In toluene; for 48h; Heating;

DOI:10.1002/1521-4184(200107)334:7<241::AID-ARDP241>3.0.CO;2-B

upstream raw materials:

1-phenyl-1H-pyrazole-4-carbaldehyde