3-Cyclopropylaniline

Base Information

• Chemical Name: 3-Cyclopropylaniline
• CAS No.: 485402-64-0
• Molecular Formula: C₉H₁₁N
• Molecular Weight: 133.193
• Hs Code.: 2921420090
• European Community (EC) Number: 819-336-1
• DSSTox Substance ID: DTXSID40476189
• Nikkaji Number: J1.792.921F
• Mol file: 485402-64-0.mol

Synonyms:3-Cyclopropylaniline;485402-64-0;Benzenamine, 3-cyclopropyl-;MFCD06802404;3-cyclopropyl aniline;3-cyclopropyl-aniline;3-cyclopropyl-phenylamine;SCHEMBL273350;DTXSID40476189;WLZ3164;LKJYNYKTZLTHJN-UHFFFAOYSA-N;AKOS004118858;CS-W005950;DS-6066;AC-29760;SY033396;BB 0223486;FT-0752899;C75291;EN300-104089;A871910;Z992239700

Chemical Property of 3-Cyclopropylaniline

Chemical Property:

• Boiling Point: 255.9±19.0 °C(Predicted)
• PKA: 4.63±0.10(Predicted)
• PSA: 26.02000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 2.72740
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclopropylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=CC(=CC=C2)N

Technology Process of 3-Cyclopropylaniline

There total 1 articles about 3-Cyclopropylaniline 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:

m-nitrobromobenzene (585-79-5) → 3-cyclopropylaniline (485402-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II) dichloromethane adduct / N,N-dimethyl-formamide; water monomer / 100 °C / Inert atmosphere

2: iron⁽⁰⁾; ammonia hydrochloride / water monomer; ethanol / 0.5 h / 80 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II) dichloromethane adduct; iron⁽⁰⁾; ammonia hydrochloride; Cs₂CO₃; In ethanol; water monomer; N,N-dimethyl-formamide; 1: |Suzuki Coupling;

DOI:10.1016/j.ejmech.2022.114311

upstream raw materials:

m-nitrobromobenzene

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