3-(Pyrrolidin-1-yl)aniline

Base Information

• Chemical Name: 3-(Pyrrolidin-1-yl)aniline
• CAS No.: 115833-93-7
• Molecular Formula: C10H14N2
• Molecular Weight: 162.235
• Hs Code.: 2933990090
• European Community (EC) Number: 868-417-8
• DSSTox Substance ID: DTXSID90363999
• Nikkaji Number: J2.838.658C
• Wikidata: Q82147771
• Mol file: 115833-93-7.mol

Synonyms:115833-93-7;3-(pyrrolidin-1-yl)aniline;3-pyrrolidin-1-ylaniline;3-(1-Pyrrolidinyl)aniline;3-Pyrrolidin-1-yl-phenylamine;MFCD05259334;Benzenamine,3-(1-pyrrolidinyl)-;Benzenamine, 3-(1-pyrrolidinyl)-;3-Pyrrolizinoaniline;SCHEMBL533024;DTXSID90363999;AC1700;Phenylamine, 3-(pyrrolidin-1-yl)-;STK796796;AKOS000100669;CCG-323874;PS-5818;SY028684;BB 0244762;CS-0117137;FT-0642821;EN300-45225;A893806;W-204856;F5608-0072;Z111423446

Chemical Property of 3-(Pyrrolidin-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 332.6 °C at 760 mmHg
• Flash Point: 132.1 °C
• PSA: 29.26000
• Density: 1.109 g/cm³
• LogP: 2.51520
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.115698455
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

3-(Pyrrolidin-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC=CC(=C2)N

Technology Process of 3-(Pyrrolidin-1-yl)aniline

There total 9 articles about 3-(Pyrrolidin-1-yl)aniline 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%

N-(3-nitrophenyl)tetrahydropyrrole (132993-20-5) → 3-pyrrolidin-1-yl-phenylamine (115833-93-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 2.5h; under 760 Torr;

DOI:10.1248/cpb.46.951

Reference yield: 94.0%

pyrrolidine (123-75-1) + m-Bromoaniline (591-19-5) → 3-pyrrolidin-1-yl-phenylamine (115833-93-7)

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 90 ℃; for 27h;

DOI:10.1021/jo0504464

Reference yield: 80.0%

pyrrolidine (123-75-1) + 3-Iodoaniline (626-01-7) → 3-pyrrolidin-1-yl-phenylamine (115833-93-7)

Guidance literature:

With potassium phosphate; copper(l) iodide; N-((1-oxy-pyridin-2-yl)methyl)oxalamic acid; In water; dimethyl sulfoxide; at 25 ℃; chemoselective reaction; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201500279

upstream raw materials:

tetrahydrofuran

m-phenylenediamine

N-(3-nitrophenyl)tetrahydropyrrole

pyrrolidine

Downstream raw materials:

N-(4-((3-(pyrrolidin-1-yl)phenylamino)methyl)benzyl)pyrimidin-2-amine

N-methyl-3-(pyrrolidin-1-yl)aniline

3-(1-pyrrolidinyl)phenol

C₃₄H₄₀Cl₂N₆O₂

Refernces

• 1、 -. "Inter-alkane amidogen phenolic synthetic method (by machine translation)". Paragraph 0027. . Retrieved 2019/01/23.
• 2、 Wang, Yongbin,Ling, Jing,Zhang, Yu,Zhang, Ao,Yao, Qizheng. "N-(1-Oxy-2-picolyl)oxalamic Acid as an Efficient Ligand for Copper-Catalyzed Amination of Aryl Iodides at Room Temperature". . p. 4153 - 4161. Retrieved 2015/07/01.