3-Propylaniline

Base Information

• Chemical Name: 3-Propylaniline
• CAS No.: 2524-81-4
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• DSSTox Substance ID: DTXSID30274479
• Nikkaji Number: J153.240E
• Wikidata: Q82003827
• Mol file: 2524-81-4.mol

Synonyms:3-propylaniline;2524-81-4;3-propylbenzenamine;Benzenamine, 3-propyl-;3-n-Propylaniline;3-n-Propyl-aniline;(3-propylphenyl)amine;SCHEMBL379137;DTXSID30274479;IPWGAPCYYMTTLT-UHFFFAOYSA-N;CAA52481;MFCD00833403;AKOS006228670;CS-W001514;SB75439;s11405;AS-54530;FT-0724090;EN300-108606

Chemical Property of 3-Propylaniline

Chemical Property:

• Boiling Point: 230 °C
• PKA: 4?+-.0.10(Predicted)
• PSA: 26.02000
• Density: 0.958±0.06 g/cm3(Predicted)
• LogP: 2.80250
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99%min ^*data from raw suppliers

3-Propylaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC(=CC=C1)N

Technology Process of 3-Propylaniline

There total 11 articles about 3-Propylaniline 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: 33.0%

β-methyl-3-nitrostyrene (119273-79-9) → 3-propylaniline (2524-81-4,197732-79-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 16h;

DOI:10.1002/cmdc.202100432

Reference yield:

3-allylaniline → 3-propylaniline (2524-81-4,197732-79-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethyl acetate; at 25 ℃; for 1h; under 775.743 Torr; Inert atmosphere;

Reference yield:

3-(2-propenyl)nitrobenzene (123158-61-2) → 3-propylaniline (2524-81-4,197732-79-9)

Guidance literature:

palladium; In ethyl acetate;

upstream raw materials:

m-nitropropylbenzene

3'-nitropropiophenone

1-(3-amino-phenyl)-propan-1-one

acetic acid-(3-propionyl-anilide)

Downstream raw materials:

C₂₀H₁₇F₃N₂O₂

2-(3-Propyl-phenylamino)-1,9-dihydro-purin-6-one

N,N'-bis(3-propylphenyl)-Guanidine

6-(3-Propyl-phenylamino)-1H-pyrimidine-2,4-dione

Refernces

• 1、 -. "COMPOUNDS, COMPOSITIONS AND METHODS OF USE". . . Retrieved 2020/07/06.
• 2、 -. "Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders". . . Retrieved 2008/06/13.