3-(Pyrrolidin-1-ylmethyl)aniline

Base Information

• Chemical Name: 3-(Pyrrolidin-1-ylmethyl)aniline
• CAS No.: 183365-31-3
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.261
• Hs Code.: 2933990090
• European Community (EC) Number: 676-334-1
• DSSTox Substance ID: DTXSID70360269
• Wikidata: Q82141920
• ChEMBL ID: CHEMBL1536368
• Mol file: 183365-31-3.mol

Synonyms:3-(pyrrolidin-1-ylmethyl)aniline;183365-31-3;3-Pyrrolidin-1-ylmethyl-phenylamine;3-Pyrrolidin-1-ylmethyl-aniline;3-[(pyrrolidin-1-yl)methyl]aniline;3-pyrrolidinylmethylaniline;MLS000718389;SCHEMBL833409;3-pyrrolidin-1-ylmethylaniline;3-(1-pyrrolidinylmethyl)aniline;CHEMBL1536368;DTXSID70360269;RZDBCURLSQNEAD-UHFFFAOYSA-N;HMS1695F14;HMS2696M13;[3(pyrrolidin1ylmethyl)phenyl]amine;3-(1-Pyrrolidinylmethyl)benzenamine;3-(pyrrolidin-1-yl-methyl)-aniline;BBL030222;MFCD04114504;STL200259;3-(1-pyrrolidinylmethyl)phenyl amine;[3-(1-pyrrolidinylmethyl)phenyl]amine;AKOS000156050;AB18465;VS-0385;[3-(pyrrolidin-1-ylmethyl)phenyl]amine;SMR000290657;3-Pyrrolidin-1-ylmethyl-aniline, AldrichCPR;BB 0254861;CS-0205999;FT-0643758;EN300-36137;C77993;A812772;F2184-0006;Z285162764

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

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 72 °C
• Refractive Index: 1.607
• Boiling Point: 294.5°Cat760mmHg
• PKA: 9.82±0.20(Predicted)
• Flash Point: 117.4°C
• PSA: 29.26000
• Density: 1.099g/cm³
• LogP: 2.38370
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2=CC(=CC=C2)N

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

There total 3 articles about 3-(Pyrrolidin-1-ylmethyl)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: 93.2%

1‐[(3‐nitrophenyl)methyl]pyrrolidine (415931-07-6) → 3‐(pyrrolidin‐1‐ylmethyl)aniline (183365-31-3)

Guidance literature:

With iron; ammonium chloride; In methanol; water; for 1h; Reflux;

DOI:10.1016/j.bmc.2015.12.001

Reference yield:

(3-aminophenyl)-(pyrrolidin-1-yl)methanone (160647-74-5) → 3‐(pyrrolidin‐1‐ylmethyl)aniline (183365-31-3)

Guidance literature:

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

Reference yield:

3-nitro-benzaldehyde (99-61-6) → 3‐(pyrrolidin‐1‐ylmethyl)aniline (183365-31-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dichloromethane / 2 h / 20 °C

1.2: 3 h / 20 °C

2.1: iron; ammonium chloride / water; methanol / 1 h / Reflux

With iron; ammonium chloride; In methanol; dichloromethane; water;

DOI:10.1016/j.bmc.2015.12.001

upstream raw materials:

1‐[(3‐nitrophenyl)methyl]pyrrolidine

(3-aminophenyl)-(pyrrolidin-1-yl)methanone

3-nitro-benzaldehyde

Downstream raw materials:

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

7-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine

C₂₆H₂₇F₆N₃O₂

C₂₀H₁₉N₃O

Refernces

• 1、 Zuo, Sai-Jie,Zhang, Sai,Mao, Shuai,Xie, Xiao-Xiao,Xiao, Xue,Xin, Min-Hnag,Xuan, Wei,He, Yuan-Yuan,Cao, Yong-Xiao,Zhang, San-Qi. "Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents". . p. 179 - 190. Retrieved 2015/12/31.
• 2、 -. "BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS". Page/Page column 93. . Retrieved 2010/04/03.