Methyl 1-methylpyrrolidine-2-acetate

Base Information

• Chemical Name: Methyl 1-methylpyrrolidine-2-acetate
• CAS No.: 51856-76-9
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• European Community (EC) Number: 257-477-5
• DSSTox Substance ID: DTXSID90966181
• Nikkaji Number: J294.935K
• Wikidata: Q82948542
• Mol file: 51856-76-9.mol

Synonyms:Methyl 1-methylpyrrolidine-2-acetate;51856-76-9;EINECS 257-477-5;SCHEMBL4088784;DTXSID90966181;Methyl (1-methylpyrrolidin-2-yl)acetate;1-Methyl-2-pyrrolidineacetic acid methyl ester

Chemical Property of Methyl 1-methylpyrrolidine-2-acetate

Chemical Property:

• Vapor Pressure: 0.646mmHg at 25°C
• Boiling Point: 186.9°Cat760mmHg
• Flash Point: 75.9°C
• PSA: 29.54000
• Density: 0.999g/cm³
• LogP: 0.58160
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC1CC(=O)OC

Technology Process of Methyl 1-methylpyrrolidine-2-acetate

There total 7 articles about Methyl 1-methylpyrrolidine-2-acetate 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: 100.0%

methyl (2)-(1-methyl-2-pyrrolidinylidene)acetate (78167-68-7) → methyl 2-(1-methylpyrrolidin-2-yl)acetate (51856-76-9,118353-50-7)

Guidance literature:

With sodium tetrahydroborate; acetic acid; at 5 - 30 ℃; for 6h;

Reference yield: 40.0%

methyl 6-amino>hex-2-enoate (137256-45-2) → (1-methyl-[3]piperidyl)-acetic acid methyl ester (118299-60-8) + methyl 2-(1-methylpyrrolidin-2-yl)acetate (51856-76-9,118353-50-7)

Guidance literature:

With 9,10-Dicyanoanthracene; In methanol; acetonitrile; Irradiation;

DOI:10.1021/ja00183a081

Reference yield:

N-methyl-2-(methoxycarbonylmethyl)pyrrole (51856-79-2) → methyl 2-(1-methylpyrrolidin-2-yl)acetate (51856-76-9,118353-50-7)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; at 25 ℃; for 72h; under 2280 Torr;

DOI:10.3987/COM-88-S115

upstream raw materials:

N-methyl-2-(methoxycarbonylmethyl)pyrrole

methyl 6-amino>hex-2-enoate

4-amino>butanal hydrochloride

methyl ⁽²⁾-(1-methyl-2-pyrrolidinylidene)acetate

Downstream raw materials:

2-(1-methyl-2-pyrrolidine)ethanol