1-Pyrrolidineacetonitrile

Base Information

• Chemical Name: 1-Pyrrolidineacetonitrile
• CAS No.: 29134-29-0
• Molecular Formula: C6H10N2
• Molecular Weight: 110.159
• Hs Code.: 29339900
• European Community (EC) Number: 249-463-2
• NSC Number: 26714
• UNII: 6P9EEL10K2
• DSSTox Substance ID: DTXSID20183389
• Nikkaji Number: J51.431D
• Wikidata: Q27265274
• Mol file: 29134-29-0.mol

Synonyms:1-Pyrrolidineacetonitrile;29134-29-0;2-(pyrrolidin-1-yl)acetonitrile;(1-Pyrrolidino)Acetonitrile;pyrrolidin-1-ylacetonitrile;Pyrrolidine-1-acetonitrile;Pyrrolidinoacetonitrile;1-Cyanomethylpyrrolidine;N-Pyrrolidinoacetonitrile;2-pyrrolidin-1-ylacetonitrile;EINECS 249-463-2;NSC 26714;BRN 0106157;UNII-6P9EEL10K2;AI3-23764;6P9EEL10K2;MFCD00014098;NSC-26714;5-20-01-00344 (Beilstein Handbook Reference);PYRROLDINOACETONITRILE;NSC26714;n-cyanomethylpyrrolidine;1-Pyrrolidinylacetonitrile;N-(cyanomethyl) pyrrolidine;SCHEMBL64890;DTXSID20183389;AMY16274;STK503241;AKOS000186804;PS-5763;SY017301;LS-137151;BB 0256008;CS-0155281;FT-0604525;EN300-43581;A876520;Q27265274;Z168893456;(1-Pyrrolidino)acetonitrile

Chemical Property of 1-Pyrrolidineacetonitrile

Chemical Property:

• Refractive Index: 1.4563
• Boiling Point: 185 °C at 760 mmHg
• PKA: 6.59±0.20(Predicted)
• Flash Point: 66.2 °C
• PSA: 27.03000
• Density: 0.994 g/cm³
• LogP: 0.54368
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Pyrrolidineacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/38
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC#N

Technology Process of 1-Pyrrolidineacetonitrile

There total 6 articles about 1-Pyrrolidineacetonitrile 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: 57.0%

pyrrolidine (123-75-1) + cyanomethyl bromide (590-17-0) → N-cyanomethyl pyrrolidine (29134-29-0)

Guidance literature:

With sodium carbonate; In acetonitrile; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1055/s-0040-1705943

Reference yield:

1-Methylpyrrolidine (120-94-5) + sodium cyanide (143-33-9,25596-52-5) → N-cyanomethyl pyrrolidine (29134-29-0) + 1-methyl-2-pyrrolidinecarbonitrile (20297-37-4)

Guidance literature:

With chlorine dioxide; In water; acetonitrile; at 0 - 25 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/ja00222a052

Reference yield:

1-Methylpyrrolidine (120-94-5) → N-cyanomethyl pyrrolidine (29134-29-0) + 1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 1-methyl-2-pyrrolidinecarbonitrile (20297-37-4) + N-methylpyrrolidine N-oxide (7529-17-1)

Guidance literature:

With potassium cyanide; oxygen; In water; at 80 ℃; for 48h; under 1520 Torr; Title compound not separated from byproducts;

upstream raw materials:

pyrrolidine

formaldehyd

1-Methylpyrrolidine

sodium cyanide

Downstream raw materials:

1-(2-aminoethyl)pyrrolidine

Bis<2-(pyrrolidin-1-yl)ethyl>amine

2-(1H-benzo[d]imidazol-2-yl)benzonitrile

benzonitrile

Refernces

• 1、 -. "POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS". . . Retrieved 2010/04/23.
• 2、 -. "Amine compounds, resist compositions and patterning process". . . Retrieved 2008/06/13.