4-Propylaniline

Base Information

• Chemical Name: 4-Propylaniline
• CAS No.: 2696-84-6
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 29214200
• European Community (EC) Number: 220-271-0
• NSC Number: 13208
• UNII: 7G7VT35H29
• DSSTox Substance ID: DTXSID5048180
• Nikkaji Number: J55.232A
• Wikidata: Q81976584
• ChEMBL ID: CHEMBL3187279
• Mol file: 2696-84-6.mol

Synonyms:4-propylaniline

Chemical Property of 4-Propylaniline

Chemical Property:

• Appearance/Colour: clear yellow to reddish-brown liquid
• Vapor Pressure: 0.0885mmHg at 25°C
• Melting Point: 31.33°C (estimate)
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 224-226 °C(lit.)
• PKA: 4.75±0.10(Predicted)
• Flash Point: 219 °F
• PSA: 26.02000
• Density: 0.919 g/mL at 25 °C(lit.)
• LogP: 2.80250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive
• 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: 82.7

Purity/Quality:

99% ^*data from raw suppliers

p-Propylaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)N

Technology Process of 4-Propylaniline

There total 32 articles about 4-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: 71.0%

4-n-Propylphenol (645-56-7) → 4-propylaniline (2696-84-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrazine hydrate; lithium hydroxide; In 1,4-dioxane; at 170 ℃; for 16h; Molecular sieve; Inert atmosphere;

DOI:10.1039/c9sc00595a

Reference yield:

phenylpropane (103-65-1) → 4-propylaniline (2696-84-6) + 2-propylaniline (1821-39-2)

Guidance literature:

Nitrierung und Reduktion;

DOI:10.1039/jr9300001558

Reference yield:

propan-1-ol (71-23-8) + aniline (62-53-3) → 3-Methylindole (83-34-1) + 2,3-dimethylquinoline (1721-89-7) + 2-ethyl-3-methylquinoline (27356-52-1) + 4-propylaniline (2696-84-6) + N-propylaniline (622-80-0) + 2-propylaniline (1821-39-2)

Guidance literature:

With hydrogen; at 410 ℃; for 2h; under 760.051 Torr; Reagent/catalyst; Gas phase;

DOI:10.1039/c7ra08442k

upstream raw materials:

phenylpropane

1-nitro-4-propyl-benzene

4-propylacetanilide

N-propylaniline

Downstream raw materials:

N-(4-nonyloxy-benzylidene)-4-propyl-aniline

(p-propylphenyl)urea

4-n-Propylphenol

N-phenyl-N'-(4-propyl-phenyl)-thiourea

Refernces

• 1、 Huang, Chen,Li, An,Chao, Zi-Sheng. "Heterogeneous catalytic synthesis of quinoline compounds from aniline and C1-C4 alcohols over zeolite-based catalysts". . p. 48275 - 48285. Retrieved 2017/10/31.
• 2、 Hoshino, Yujiro,Ohtsuka, Naoya,Okada, Takuya,Honda, Kiyoshi. "One-pot synthesis of primary amines from carboxylic acids through rearrangement of in situ generated hydroxamic acid derivatives". supporting information. p. 5304 - 5307. Retrieved 2016/11/16.