2-(Chloromethyl)pyrrolidine

Base Information

• Chemical Name: 2-(Chloromethyl)pyrrolidine
• CAS No.: 54288-80-1
• Molecular Formula: C5H10ClN
• Molecular Weight: 120
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60544576
• Nikkaji Number: J1.426.669K
• Mol file: 54288-80-1.mol

Synonyms:2-(chloromethyl)pyrrolidine;54288-80-1;2-Chloromethyl-pyrrolidine;(R)-2-Chloromethyl-pyrrolidine;1260981-34-7;SCHEMBL5348544;DTXSID60544576;AKOS005605554;SB32408;SB34383;SB37595;AM100930;CS-0106573;EN300-215979

Chemical Property of 2-(Chloromethyl)pyrrolidine

Chemical Property:

• Boiling Point: 166℃
• PKA: 9.82±0.10(Predicted)
• Flash Point: 54℃
• PSA: 12.03000
• Density: 1.020
• LogP: 1.30600
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 119.0501770
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

97% ^*data from raw suppliers

2-Chloromethyl-pyrrolidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)CCl

Technology Process of 2-(Chloromethyl)pyrrolidine

There total 2 articles about 2-(Chloromethyl)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:

2-hydroxymethylpyrrolidine (498-63-5) → 2-chloromethyl-pyrrolidine (54288-80-1,1260981-34-7)

Guidance literature:

With thionyl chloride; In chloroform; Heating;

DOI:10.1016/j.bmcl.2004.06.033

Reference yield:

→ 2-chloromethyl-pyrrolidine (54288-80-1,1260981-34-7)

Guidance literature:

aus 2-Hydroxymethyl-pyrrolidin, HCl, SOCl2 in CHCl3;

DOI:10.1021/jo01039a025

Reference yield:

2-chloromethyl-pyrrolidine (54288-80-1,1260981-34-7) → (-)-(7aS)-3-n-butyl-2-(p-toluenesulfonyl)-Δ2,3-pyrrolizidine

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 21.5 h / 20 °C

2: LDA / tetrahydrofuran / -78 °C

With lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; 1: Addition / 2: Cyclization;

DOI:10.1021/jo000080p

upstream raw materials:

2-hydroxymethylpyrrolidine

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