4-(2-(Pyrrolidin-1-yl)ethyl)aniline

Base Information

• Chemical Name: 4-(2-(Pyrrolidin-1-yl)ethyl)aniline
• CAS No.: 168897-20-9
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80424583
• Wikidata: Q82237227
• ChEMBL ID: CHEMBL1624672
• Mol file: 168897-20-9.mol

Synonyms:168897-20-9;4-(2-(Pyrrolidin-1-yl)ethyl)aniline;4-[2-(pyrrolidin-1-yl)ethyl]aniline;4-(2-pyrrolidin-1-ylethyl)aniline;4-(2-PYRROLIDIN-1-YL-ETHYL)-ANILINE;4-(2-Pyrrolidin-1-yl-ethyl)-phenylamine;4-[2-(1-PYRROLIDINYL)ETHYL]ANILINE;SCHEMBL1877934;CHEMBL1624672;DTXSID80424583;WAOKZNBDXFOXSA-UHFFFAOYSA-N;4-(2-pyrrolidin-1ylethyl) aniline;MFCD04114507;STL259668;AKOS000104474;AB18469;4-(2-(pyrrolidin-1-yl)ethyl)benzenamine;Benzenamine,4-[2-(1-pyrrolidinyl)ethyl]-;CS-0340628;FT-0677662;EN300-52460;C77959;4-[2-(1-Pyrrolidinyl)ethyl]aniline, AldrichCPR;J-010490;Z335286636

Chemical Property of 4-(2-(Pyrrolidin-1-yl)ethyl)aniline

Chemical Property:

• Vapor Pressure: 0.000453mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 314.9 °C at 760 mmHg
• Flash Point: 129.2 °C
• PSA: 29.26000
• Density: 1.055 g/cm³
• LogP: 2.42620
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Pyrrolidin-1-yl-ethyl)-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCC2=CC=C(C=C2)N

Technology Process of 4-(2-(Pyrrolidin-1-yl)ethyl)aniline

There total 8 articles about 4-(2-(Pyrrolidin-1-yl)ethyl)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: 98.0%

4-(2-(1-pyrrolidinyl)ethyl)nitrobenzene (168897-19-6) → 4-(2-pyrrolidin-1-yl-ethyl)phenylamine (168897-20-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 16h; under 2327.23 Torr;

Reference yield:

4-(2-oxo-2-pyrrolidin-1-ylethyl)aniline (926265-87-4) → 4-(2-pyrrolidin-1-yl-ethyl)phenylamine (168897-20-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

(4-nitrophenyl)ethyl bromide (5339-26-4) → 4-(2-pyrrolidin-1-yl-ethyl)phenylamine (168897-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 3 h / Reflux

2: palladium on activated charcoal; hydrogen / methanol / 16 h / 2327.23 Torr

With palladium on activated charcoal; hydrogen; In methanol;

upstream raw materials:

4-(2-(1-pyrrolidinyl)ethyl)nitrobenzene

4-(2-oxo-2-pyrrolidin-1-ylethyl)aniline

2,2-dibromo-1-(4-nitrophenyl)ethene

4-nitrobenzaldehdye

Downstream raw materials:

3-(4-tert-butylphenyl)-5,5-dimethyl-1-[(2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}pyridin-4-yl)-methyl]imidazolidine-2,4-dione

2-(4-(2-(pyrrolidin-1-yl)ethyl)phenyl)benzo[d][1,2]selenazol-3(2H)-one

4-methyl-N-(4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-3-(4-(3-(trifluoromethyl)phenyl)pyrimidin-2-ylamino)benzamide

Refernces

• 1、 -. "8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER". Paragraph 00598. . Retrieved 2013/04/10.
• 2、 Wang, Li,Yang, Fenyan,Yang, Xiaochun,Guan, Xianghong,Hu, Chunqi,Liu, Tao,He, Qiaojun,Yang, Bo,Hu, Yongzhou. "Synthesis and biological evaluation of new 4β-anilino-4′-O- demethyl-4-desoxypodophyllotoxin derivatives as potential antitumor agents". scheme or table. p. 285 - 296. Retrieved 2011/03/17.