3-(Cyclopentylamino)propionitrile

Base Information

• Chemical Name: 3-(Cyclopentylamino)propionitrile
• CAS No.: 1074-63-1
• Molecular Formula: C₈H₁₄N₂
• Molecular Weight: 138.213
• Hs Code.: 2926909090
• European Community (EC) Number: 673-978-5
• DSSTox Substance ID: DTXSID60374118
• Wikidata: Q82162618
• Mol file: 1074-63-1.mol

Synonyms:3-(Cyclopentylamino)propionitrile;1074-63-1;3-(cyclopentylamino)propanenitrile;Propanenitrile,3-(cyclopentylamino)-;SCHEMBL2751529;3-(Cyclopentylamino)propanitrile;N-(2-cyanoethyl)cyclopentylamine;AMY5553;DTXSID60374118;YHGZCPAPXDXHCY-UHFFFAOYSA-N;BAA07463;CS1044;MFCD00060286;AKOS005188296;AC-31850;BS-42386;CS-0318841;FT-0676239;A801703;J-001902

Chemical Property of 3-(Cyclopentylamino)propionitrile

Chemical Property:

• Vapor Pressure: 0.00897mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 265.8 °C at 760 mmHg
• PKA: 8?+-.0.20(Predicted)
• Flash Point: 114.5 °C
• PSA: 35.82000
• Density: 0.95 g/cm³
• LogP: 1.82318
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.115698455
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

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

3-(Cyclopentylamino)propionitrile ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NCCC#N

Technology Process of 3-(Cyclopentylamino)propionitrile

There total 2 articles about 3-(Cyclopentylamino)propionitrile 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: 92.0%

acrylonitrile (107-13-1,25014-41-9) + Cyclopentamine (1003-03-8) → 3-(cyclopentylamino)propionitrile (1074-63-1)

Guidance literature:

With aluminum oxide; In neat (no solvent); at 65 ℃; for 3.5h; Green chemistry;

DOI:10.3390/molecules21060815

Reference yield:

→ 3-(cyclopentylamino)propionitrile (1074-63-1)

Guidance literature:

Acrylnitril, Cyclopentylamin;

Reference yield:

3-(cyclopentylamino)propionitrile (1074-63-1) → 5-(4-chloro-benzenesulfonylamino)-1-(4-chloro-benzyl)-1H-imidazole-4-carboxylic acid (3-cyclopentylamino-propyl)-amide

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / 0 °C

2: 50 percent / 48 h / 120 °C

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1002/ardp.200500150

upstream raw materials:

acrylonitrile

Cyclopentamine

Refernces

• 1、 Bosica, Giovanna,Abdilla, Roderick. "Aza-Michael mono-addition using acidic alumina under solventless conditions". . . Retrieved 2016/07/07.
• 2、 -. "Carbazole-Containing Sulfonamides as Cryptochrome Modulators". Paragraph 0490-0491. . Retrieved 2013/11/19.