1-Benzyl-3-(ethylamino)pyrrolidine

Base Information

• Chemical Name: 1-Benzyl-3-(ethylamino)pyrrolidine
• CAS No.: 115445-21-1
• Molecular Formula: C13H20N2
• Molecular Weight: 204.315
• Hs Code.: 2933990090
• European Community (EC) Number: 678-000-0
• DSSTox Substance ID: DTXSID50438197
• Nikkaji Number: J382.957J
• Mol file: 115445-21-1.mol

Synonyms:1-Benzyl-3-(ethylamino)pyrrolidine;115445-21-1;1-benzyl-N-ethylpyrrolidin-3-amine;3-Pyrrolidinamine,N-ethyl-1-(phenylmethyl)-;3-Pyrrolidinamine, N-ethyl-1-(phenylmethyl)-;SCHEMBL1908453;DTXSID50438197;MFCD00191305;AKOS005202439;SB47261;BS-19452;B1560;CS-0207100;FT-0690974;FT-0771651;FT-0772860;EN300-45371;T70104;1-Benzyl-N-ethyl-3-pyrrolidinamine, AldrichCPR;A893872;Z159565496

Chemical Property of 1-Benzyl-3-(ethylamino)pyrrolidine

Chemical Property:

• Refractive Index: 1.5240-1.5260
• Boiling Point: 290.5 °C at 760 mmHg
• PKA: 10.36±0.20(Predicted)
• Flash Point: 108.7 °C
• PSA: 15.27000
• Density: 1.01 g/cm³
• LogP: 2.19920
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-(ethylamino)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1CCN(C1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-3-(ethylamino)pyrrolidine

There total 4 articles about 1-Benzyl-3-(ethylamino)pyrrolidine 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: 95.0%

(R)-N-(1-benzylpyrrolidine-3-yl)acetamide (114636-33-8,28506-01-6) → (R)-1-benzyl-N-ethylpyrrolidine-3-amine (115445-21-1,169750-99-6,376591-05-8)

Guidance literature:

(R)-N-(1-benzylpyrrolidine-3-yl)acetamide; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; Heating / reflux;

With sodium hydroxide; water; In tetrahydrofuran; at 5 ℃; for 1h;

Reference yield:

(R)-1-benzyl-3-aminopyrrolidine (114715-39-8) → (R)-1-benzyl-N-ethylpyrrolidine-3-amine (115445-21-1,169750-99-6,376591-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / water; dichloromethane / 0.17 h / 20 °C

1.2: 20 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / -40 °C / Reflux

With lithium aluminium tetrahydride; sodium hydrogencarbonate; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.bmc.2018.01.021

Reference yield:

→ (R)-1-benzyl-N-ethylpyrrolidine-3-amine (115445-21-1,169750-99-6,376591-05-8)

Guidance literature:

/BRN= 485169/ (8), LiAlH4, THF;

DOI:10.1021/jm00216a012

upstream raw materials:

(R)-N-(1-benzylpyrrolidine-3-yl)acetamide

(R)-1-benzyl-3-aminopyrrolidine

Downstream raw materials:

(R)-3-ethylaminopyrrolidine