(S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride

Base Information

• Chemical Name: (S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride
• CAS No.: 259868-83-2
• Molecular Formula: C₇H₁₃NO₂*ClH
• Molecular Weight: 179.647
• European Community (EC) Number: 836-552-1
• DSSTox Substance ID: DTXSID50469103
• Mol file: 259868-83-2.mol

Synonyms:(S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride;259868-83-2;Methyl 2-[(2S)-pyrrolidin-2-yl]acetate Hydrochloride;(S)-METHYL 2-(PYRROLIDIN-2-YL)ACETATE HCL;methyl 2-[(2S)-pyrrolidin-2-yl]acetate;hydrochloride;MFCD22200809;(S)-Methyl2-(pyrrolidin-2-yl)acetatehydrochloride;SCHEMBL617457;DTXSID50469103;AKOS016000980;DS-1865;EN300-1273221;A854910;methyl (S)-2-(pyrrolidin-2-yl)acetate hydrochloride

Chemical Property of (S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride

Chemical Property:

• Melting Point: 53℃
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

(S)-Methyl2-(pyrrolidin-2-yl)acetatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1CCCN1.Cl
• Isomeric SMILES: COC(=O)C[C@@H]1CCCN1.Cl

Technology Process of (S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride

There total 2 articles about (S)-Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride 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:

methyl (R)-2-[N(1')-(tert-butoxycarbonyl)pyrrolidin-2'-yl]ethanoate (132482-05-4,813433-68-0) → methyl 2-[(2R)-pyrrolidin-2-yl]acetate hydrochloride (340040-67-7,259868-83-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

Reference yield:

methanol (67-56-1) + 2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid (1174705-02-2) → methyl 2-[(2R)-pyrrolidin-2-yl]acetate hydrochloride (340040-67-7,259868-83-2)

Guidance literature:

With thionyl chloride; at 0 ℃;

Reference yield:

(S)-pyrrolidin-2-ylacetic acid methyl ester hydrochloride (259868-83-2) + benzyl chloride (100-44-7) → C25H27NO (1338968-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / toluene / 6 h / 0 - 110 °C / Reflux

2: tetrahydrofuran / 24 h / 0 - 20 °C

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; toluene;

DOI:10.1002/chir.21017

upstream raw materials:

methyl (R)-2-[N(1')-(tert-butoxycarbonyl)pyrrolidin-2'-yl]ethanoate

methanol

2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid

Downstream raw materials:

C₂₅H₂₇NO

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