Cyclobutylamine

Base Information

• Chemical Name: Cyclobutylamine
• CAS No.: 2516-34-9
• Molecular Formula: C4H9N
• Molecular Weight: 71.1222
• Hs Code.: 29213000
• European Community (EC) Number: 219-736-0
• UNII: HFH6FE5D4Y
• DSSTox Substance ID: DTXSID00870982
• Nikkaji Number: J80.508D
• Wikidata: Q31190376
• Mol file: 2516-34-9.mol

Synonyms:Cyclobutylamine;Cyclobutanamine;2516-34-9;Aminocyclobutane;cyclobutyl amine;1-Aminocyclobutane;MFCD00001328;HFH6FE5D4Y;EINECS 219-736-0;cyclobutylamin;cyclobutaneamine;1-amino cyclobutane;Cyclobutylamine, 98%;UNII-HFH6FE5D4Y;KZZKOVLJUKWSKX-UHFFFAOYSA-;AMY2668;DTXSID00870982;NSC 4598;EINECS 228-540-4;BBL102291;STL556090;AKOS005254902;PB42394;PS-9374;A1036;CS-0006656;FT-0600006;FT-0694918;EN300-62688;F10463;W-107258;Q31190376;F1791-1731

Chemical Property of Cyclobutylamine

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid
• Vapor Pressure: 81.9mmHg at 25°C
• Melting Point: 133-135.5 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 81.4 °C at 760 mmHg
• PKA: 10.80±0.20(Predicted)
• Flash Point: 24 °F
• PSA: 26.02000
• Density: 0.905 g/cm³
• LogP: 1.19790
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Hygroscopic
• Water Solubility.: slightly soluble
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 71.073499291
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

99% ^*data from raw suppliers

Aminocyclobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi
• Statements: 11-34-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-45-33-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(C1)N
• Uses: Cyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.

Technology Process of Cyclobutylamine

There total 13 articles about Cyclobutylamine 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: 89.7%

Cyclobutanecarboxylic acid (3721-95-7) → cyclobutylamine (2516-34-9)

Guidance literature:

With sodium azide; sulfuric acid; In chloroform; for 48h; Ambient temperature; NaN₃ was added at 45 deg C;

DOI:10.1021/ja00521a052

Reference yield: 72.0%

cyclobutanone (1191-95-3) → cyclobutylamine (2516-34-9)

Guidance literature:

cyclobutanone; With palladium 10% on activated carbon; benzylamine; In toluene; at 40 ℃; for 10h; Autoclave;

With hydrogen; In toluene; at 40 - 80 ℃; for 24h; under 22801.5 Torr; Reagent/catalyst; Pressure; Temperature; Solvent; Autoclave;

Reference yield:

1-Cyclobutanecarbohydroxamic acid (77317-97-6) → cyclobutylamine (2516-34-9)

Guidance literature:

1-Cyclobutanecarbohydroxamic acid; With acetic anhydride; potassium carbonate; In acetonitrile; at 50 ℃; for 24h;

With hydrogenchloride; In water; acetonitrile; at 0 ℃;

DOI:10.1016/j.tetlet.2014.12.084

upstream raw materials:

Cyclobutanecarboxylic acid

cyclobutyl amide

nitrocyclobutane

tert-butyl cyclobutylcarbamate

Downstream raw materials:

cyclobutanone

cyclobutyl-trimethyl-ammonium; iodide

Cyclobutyl-isothiocyanat

C₂₂H₂₇N₃O₅S