(2Z)-2-(nitromethylidene)pyrrolidine

Base Information

• Chemical Name: (2Z)-2-(nitromethylidene)pyrrolidine
• CAS No.: 94662-62-1
• Molecular Formula: C5H8 N2 O2
• Molecular Weight: 128.131
• Hs Code.: 2933990090
• European Community (EC) Number: 966-694-0
• Nikkaji Number: J1.075.735E
• Mol file: 94662-62-1.mol

Synonyms:(2Z)-2-(nitromethylidene)pyrrolidine;94662-62-1;2-(Nitromethylene)pyrrolidine;SCHEMBL7159320;AKOS006223492;Pyrrolidine,2-(nitromethylene)-,(2Z)-(9ci);EN300-1726166

Chemical Property of (2Z)-2-(nitromethylidene)pyrrolidine

Chemical Property:

• Melting Point: 109-110 °C (ethyl acetate)
• Boiling Point: 244.7±29.0 °C (760 mmHg)
• PSA: 57.85000
• Density: 1.304±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 1.33990
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.058577502
• Heavy Atom Count: 9
• Complexity: 148

Purity/Quality:

2-(Nitromethylene)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C[N+](=O)[O-])NC1
• Isomeric SMILES: C1C/C(=C/[N+](=O)[O-])/NC1

Technology Process of (2Z)-2-(nitromethylidene)pyrrolidine

There total 5 articles about (2Z)-2-(nitromethylidene)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: 83.0%

nitropyrrolidin-(2E/2Z)-ylideneacetic acid ethyl ester → 2-(nitromethylene)pyrrolidine (94662-62-1)

Guidance literature:

With sodium hydroxide; In water; Reflux;

DOI:10.1002/ejoc.200800372

Reference yield: 51.8%

2-methoxy-1-pyrroline (5264-35-7) + nitromethane (75-52-5) → 2-(nitromethylene)pyrrolidine (94662-62-1)

Guidance literature:

for 20h; Reflux;

DOI:10.3987/COM-11-12246

Reference yield: 10.0%

nitromethane (75-52-5) + 3,4-Dihydro-2(methylthio)-5H-pyrrolium hydroiodide (20169-53-3) → 2-(nitromethylene)pyrrolidine (94662-62-1,50901-58-1)

Guidance literature:

With potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 12h; Ambient temperature;

upstream raw materials:

nitromethane

3,4-Dihydro-2(methylthio)-5H-pyrrolium hydroiodide

2-methoxy-1-pyrroline

Downstream raw materials:

2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine

2-benzyl-4-nitro-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine