1-Aminocyclobutanecarbonitrile

Base Information

• Chemical Name: 1-Aminocyclobutanecarbonitrile
• CAS No.: 70780-84-6
• Molecular Formula: C5H8N2
• Molecular Weight: 96.13
• Hs Code.: 2926909090
• European Community (EC) Number: 818-142-4
• DSSTox Substance ID: DTXSID50461142
• Nikkaji Number: J23.519I
• Wikidata: Q82285394
• Mol file: 70780-84-6.mol

Synonyms:1-aminocyclobutanecarbonitrile;70780-84-6;1-aminocyclobutane-1-carbonitrile;1-AMINO-CYCLOBUTANECARBONITRILE;MFCD09040659;1-Aminocyclobutanecarbonitrile >80%;DTXSID50461142;AKOS000126845;SB38402;AM804260;SY035981;1-aminocyclobutanecarbonitrile, AldrichCPR;CS-0089764;FT-0770101;EN300-31050;F30101;AB01000946-01

Chemical Property of 1-Aminocyclobutanecarbonitrile

Chemical Property:

• Boiling Point: 198.2±23.0 °C(Predicted)
• PKA: 5.18±0.20(Predicted)
• PSA: 49.81000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 1.09168
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.068748264
• Heavy Atom Count: 7
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

1-Aminocyclobutanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C#N)N

Technology Process of 1-Aminocyclobutanecarbonitrile

There total 4 articles about 1-Aminocyclobutanecarbonitrile 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:

sodium cyanide (773837-37-9) + cyclobutanone (1191-95-3) → 1-aminocyclobutane-1-carbonitrile (70780-84-6)

Guidance literature:

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

DOI:10.1021/acscombsci.6b00005

Reference yield:

N-Boc-1-aminocyclobutanecarbonitrile (1251923-90-6) → 1-aminocyclobutane-1-carbonitrile (70780-84-6)

Guidance literature:

With methanesulfonic acid; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2009.07.114

Reference yield:

cyclobutanone (1191-95-3) → 1-aminocyclobutane-1-carbonitrile (70780-84-6)

Guidance literature:

upstream raw materials:

cyclobutanone

N-Boc-1-aminocyclobutanecarbonitrile

sodium cyanide

Downstream raw materials:

methyl 1-aminocyclobutanecarboxylate

(1-aminocyclobutyl)methanol

Refernces

• 1、 Kotlyar, Volodymyr M.,Kolomoitsev, Oleksii O.,Nikolaievskyi, Dmytro V.,Pedan, Polina I.,Chumak, Andrii Yu,Orlov, Valery D.,Shishkina, Svitlana V.,Doroshenko, Andrey O.. "Photoreactive fused aziridinylpiperazines on the background of 4-substituted chalcones and their benzimidazolic analogs". . p. 741 - 746. Retrieved 2019/01/10.
• 2、 Guay, Daniel,Beaulieu, Christian,Jagadeeswar Reddy,Zamboni, Robert,Methot, Nathalie,Rubin, Joel,Ethier, Diane,David Percival. "Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C". scheme or table. p. 5392 - 5396. Retrieved 2010/05/02.