1-Aminocyclopentanecarbonitrile

Base Information

• Chemical Name: 1-Aminocyclopentanecarbonitrile
• CAS No.: 49830-37-7
• Molecular Formula: C6H10 N2
• Molecular Weight: 110.159
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID70366549
• Nikkaji Number: J444.925H
• Wikidata: Q82151812
• Mol file: 49830-37-7.mol

Synonyms:1-aminocyclopentanecarbonitrile;49830-37-7;1-aminocyclopentane-1-carbonitrile;1-aminocyclopentane carbonitrile;1-Amino-cyclopentanecarbonitrile;1-amino-1-cyanocyclopentane;SCHEMBL75984;DTXSID70366549;KFPMRYNOEZCHDP-UHFFFAOYSA-N;HMS1787H05;MFCD05262933;AKOS008967041;MB03474;BS-12352;AM20100218;FT-0721546;EN300-08537

Chemical Property of 1-Aminocyclopentanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.136mmHg at 25°C
• Boiling Point: 217°Cat760mmHg
• PKA: 5.18±0.20(Predicted)
• Flash Point: 85°C
• PSA: 49.81000
• Density: 1.02g/cm³
• LogP: 1.48178
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

1-Aminocyclopentanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C#N)N

Technology Process of 1-Aminocyclopentanecarbonitrile

There total 14 articles about 1-Aminocyclopentanecarbonitrile 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: 97.0%

sodium cyanide (773837-37-9) + cyclopentanone (120-92-3) → 1-amino-1-cyanocyclopentane (49830-37-7)

Guidance literature:

With ammonium hydroxide; ammonium chloride; In isopropyl alcohol; at 20 ℃; Inert atmosphere;

DOI:10.1021/acscombsci.6b00005

Reference yield: 95.0%

trimethylsilyl cyanide (7677-24-9) + ammonia (7664-41-7) + cyclopentanone (120-92-3) → 1-amino-1-cyanocyclopentane (49830-37-7)

Guidance literature:

In acetone; for 1h; Heating / reflux;

Reference yield: 95.0%

trimethylsilyl cyanide (7677-24-9) + cyclopentanone (120-92-3) → 1-amino-1-cyanocyclopentane (49830-37-7)

Guidance literature:

With ammonia; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/jm901488g

upstream raw materials:

potassium cyanide

acetone

sodium cyanide

cyclopentanone

Downstream raw materials:

1-amino-1-cyclopentanecarboxylic acid

cyclopentanespiro-4'-imidazolidine-2',5'-dithione

1-aminocyclopentane-1-carboxamide

4-(4-imino-2-thioxo-1,3-diazaspiro[4.4]non-3-yl)-2-trifluoromethylbenzonitrile

Refernces

• 1、 Guillemin, Jean-Claude,Nasraoui, Wafa,Gazzeh, Houda. "Synthesis of: N -unsubstituted cycloalkylimines containing a 4 to 8-membered ring". . p. 5647 - 5650. Retrieved 2019/05/21.
• 2、 Li, Qing-Hua,Li, Zhao-Feng,Tao, Jing,Li, Wan-Fang,Ren, Li-Qing,Li, Qian,Peng, Yun-Gui,Liu, Tang-Lin. "Titanium-Catalyzed Cyano-Borrowing Reaction for the Direct Amination of Cyanohydrins with Ammonia". supporting information. p. 8429 - 8433. Retrieved 2019/10/14.