4-(Aminomethyl)pyrrolidin-2-one

Base Information

• Chemical Name: 4-(Aminomethyl)pyrrolidin-2-one
• CAS No.: 676627-00-2
• Molecular Formula: C5H10N2O
• Molecular Weight: 114.147
• Hs Code.: 2933790090
• European Community (EC) Number: 846-390-3
• DSSTox Substance ID: DTXSID90599599
• Mol file: 676627-00-2.mol

Synonyms:4-(AMINOMETHYL)PYRROLIDIN-2-ONE;676627-00-2;4-Aminomethylpyrrolidin-2-one;4-(aminomethyl)-2-pyrrolidinone;2-Pyrrolidinone, 4-(aminomethyl)-;Discontinued See T009005;SCHEMBL523028;4-Aminomethyl-pyrrolidin-2-one;DTXSID90599599;MFCD09744146;AKOS005266578;PB10686;SB20898;SB20900;AS-33579;DA-19139;CS-0053815;EN300-238405;A835849;F2147-0742

Chemical Property of 4-(Aminomethyl)pyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 0.000483mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 313.9°C at 760 mmHg
• PKA: 16.25±0.40(Predicted)
• Flash Point: 143.6°C
• PSA: 58.61000
• Density: 1.076g/cm³
• LogP: 0.05740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.079312947
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

4-Aminomethylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC1=O)CN
• Uses: 4-Aminomethylpyrrolidin-2-one was used in the preparation of aminopyri(mi)dinecarboxamide CB2 modulator to be used in combination with PDE4 inhibitors for treating pain, immune, inflammatory and rheum atic diseases.

Technology Process of 4-(Aminomethyl)pyrrolidin-2-one

There total 1 articles about 4-(Aminomethyl)pyrrolidin-2-one 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:

1-Benzyl-4-aminomethyl-pyrrolidin-2-one (97205-34-0,116041-13-5) → 5-aminomethylpyrrolidin-2-one (676627-00-2)

Guidance literature:

1-Benzyl-4-aminomethyl-pyrrolidin-2-one; With ammonia; sodium; at -50 ℃; for 1h;

With ethanol; at 20 ℃; for 1h;

Reference yield: 47.0%

5-aminomethylpyrrolidin-2-one (676627-00-2) + 6-(2,4-dichloro-phenylamino)-4-trifluoromethyl-nicotinic acid (676626-96-3) → N-(5-oxo-pyrrolidin-3-ylmethyl)-6-(2,4-dichloro-phenylamino)-4-trifluoromethyl-nicotinamide (676630-95-8)

Guidance literature:

6-(2,4-dichloro-phenylamino)-4-trifluoromethyl-nicotinic acid; With 1-hydroxy-7-aza-benzotriazole; PS-carbodiimide; In dichloromethane; at 20 ℃; Polystyrene

5-aminomethylpyrrolidin-2-one; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 0.5h; Irradiation;

Reference yield: 32.0%

5-aminomethylpyrrolidin-2-one (676627-00-2) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 4-((phenylamino)methyl)pyrrolidin-2-one

Guidance literature:

With copper diacetate; triethylamine; In acetonitrile; at 80 ℃; for 24h; Molecular sieve; Sealed tube;

DOI:10.1021/acs.joc.6b00466

upstream raw materials:

1-Benzyl-4-aminomethyl-pyrrolidin-2-one

Downstream raw materials:

N-(5-oxo-pyrrolidin-3-ylmethyl)-6-(2,4-dichloro-phenylamino)-4-trifluoromethyl-nicotinamide

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