(S)-2-(Chloromethyl)pyrrolidine

Base Information

• Chemical Name: (S)-2-(Chloromethyl)pyrrolidine
• CAS No.: 179116-00-8
• Molecular Formula: C5H10ClN
• Molecular Weight: 119.59
• DSSTox Substance ID: DTXSID80544578
• Nikkaji Number: J1.333.413G
• Wikidata: Q82421728
• Mol file: 179116-00-8.mol

Synonyms:(S)-2-(Chloromethyl)pyrrolidine;179116-00-8;(2S)-2-(Chloromethyl)pyrrolidine;(S)-2-CHLOROMETHYL-PYRROLIDINE;SCHEMBL9055841;DTXSID80544578;AKOS006329983;CS-0106569;EN300-212965

Chemical Property of (S)-2-(Chloromethyl)pyrrolidine

Chemical Property:

• Boiling Point: 165.8±13.0 °C(Predicted)
• PKA: 9.82±0.10(Predicted)
• PSA: 12.03000
• Density: 1.020±0.06 g/cm3(Predicted)
• LogP: 1.30600
• Storage Temp.: 2-8°C
• 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

(S)-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
• Isomeric SMILES: C1C[C@H](NC1)CCl

Technology Process of (S)-2-(Chloromethyl)pyrrolidine

There total 1 articles about (S)-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:

(S)-1-Pyrrolidin-2-yl-methanol (23356-96-9) → (S)-2-(chloromethyl)pyrrolidine (179116-00-8,1260981-34-7)

Guidance literature:

With thionyl chloride; In methanol;

DOI:10.1248/cpb.51.1015

Reference yield: 75.0%

(S)-2-(chloromethyl)pyrrolidine (179116-00-8,1260981-34-7) + 1-(p-tolylsulfonyl)-1-hexyne (108895-67-6) → (-)-(7aS)-3-n-butyl-2-(p-toluenesulfonyl)-Δ2,3-pyrrolizidine

Guidance literature:

(S)-2-(chloromethyl)pyrrolidine; 1-(p-tolylsulfonyl)-1-hexyne; In tetrahydrofuran; at 20 ℃;

With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; Further stages.;

DOI:10.1021/ol990592u

Reference yield:

(S)-2-(chloromethyl)pyrrolidine (179116-00-8,1260981-34-7) + benzoyl chloride (98-88-4) → N,O-Dibenzoyl-L-prolinol (56439-58-8)

Guidance literature:

With pyridine;

DOI:10.1248/cpb.51.1015

upstream raw materials:

(S)-1-Pyrrolidin-2-yl-methanol

Downstream raw materials:

N,O-Dibenzoyl-L-prolinol

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