N-Isopropylcyclohexylamine

Base Information

• Chemical Name: N-Isopropylcyclohexylamine
• CAS No.: 1195-42-2
• Molecular Formula: C9H19 N
• Molecular Weight: 141.257
• Hs Code.: 2921300090
• European Community (EC) Number: 214-798-5
• NSC Number: 86132
• DSSTox Substance ID: DTXSID40152471
• Nikkaji Number: J1.762K
• Wikidata: Q83019103
• Mol file: 1195-42-2.mol

Synonyms:N-Isopropylcyclohexylamine;1195-42-2;N-Isopropylcyclohexanamine;Cyclohexylisopropylamine;N-Cyclohexylisopropylamine;Cyclohexylamine, N-isopropyl-;Isopropylcyclohexylamine;N-propan-2-ylcyclohexanamine;N-cyclohexyl-N-isopropylamine;Cyclohexanamine, N-(1-methylethyl)-;N-(propan-2-yl)cyclohexanamine;N-ISOPROPYL CYCLOHEXYLAMINE;cyclohexyl-isopropyl-amine;EINECS 214-798-5;NSC 86132;BRN 2070639;4-12-00-00019 (Beilstein Handbook Reference);NSC86132;HN(iPr)Cy;cyclohexyl-isopropylamine;Cyclohexyl isopropylamine;Isopropyl cyclohexylamine;isopropyl cyclohexyl amine;isopropyl cylcohexyl amine;N-isopropylcyclohexyl amine;N-cyclohexyl-isopropyl-amine;N-Isopropylcyclohexanamine #;N-isopropyl-N-cyclohexylamine;SCHEMBL104545;N-isopropyl-N-cyclohexyl amine;N-Cyclohexylisopropylamine, 98%;UYYCVBASZNFFRX-UHFFFAOYSA-;DTXSID40152471;STR07978;MFCD00003831;NSC-86132;STK503674;AKOS000120725;N-(1-METHYLETHYL)CYCLOHEXANAMINE;LS-57636;BB 0259602;CS-0075695;FT-0633458;I0373;EN300-18799;D91133;J-640322;J-800325;F2190-0320

Chemical Property of N-Isopropylcyclohexylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 1.03mmHg at 25°C
• Melting Point: -79.9°C (estimate)
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 60-65 °C12 mm Hg(lit.)
• PKA: 11.03±0.20(Predicted)
• Flash Point: 93 °F
• PSA: 12.03000
• Density: 0.859 g/mL at 25 °C(lit.)
• LogP: 2.70800
• Storage Temp.: Flammables area
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

98% ^*data from raw suppliers

N-Isopropylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1CCCCC1
• Uses: N-Cyclohexylisopropylamine was used as reagent in the synthesis of 7-hydroxy cannabidiol and cannabidiol-7-oic acid.

Technology Process of N-Isopropylcyclohexylamine

There total 32 articles about N-Isopropylcyclohexylamine 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: 82.0%

N-isopropyliden-cyclohexyl amine (6407-36-9) → N-cyclohexylisopropylamine (1195-42-2)

Guidance literature:

With sodium tetrahydroborate; nickel; sodium hydroxide; In methanol; water; at 20 - 60 ℃;

DOI:10.1039/c1ob06471a

Reference yield: 70.0%

cyclohexylamine (108-91-8,157973-60-9) + acetone (67-64-1) → N-cyclohexylisopropylamine (1195-42-2)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In 1,2-dichloro-ethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol402751j

Reference yield: 70.0%

cyclohexylamine (108-91-8,157973-60-9) + isopropyl alcohol (67-63-0,8013-70-5) → N-cyclohexylisopropylamine (1195-42-2)

Guidance literature:

With [Zr₆O₄(OH)4]⁽¹²⁺⁾*5.7C₈H₅NO₄^(2-)*0.3C₁₃H₂₀N₂O*0.3Ir⁽¹⁺⁾*0.3Cl^(1-); hydrogen; at 80 ℃; for 20h; under 4500.45 Torr; Autoclave; Green chemistry;

DOI:10.1002/cctc.201402101

upstream raw materials:

N-isopropyliden-cyclohexyl amine

cyclohexylamine

acetone

cyclohexanone

Downstream raw materials:

N-Cyclohexyl-N-isopropyl-4-(2-oxo-1,2-dihydro-quinolin-6-yloxy)-butyramide

C₂₁H₂₈NO₂P

Diphenylmethane

lithium cyclohexylisopropylamide

Refernces

Controlled chemical synthesis of the enzymatically produced eicosanoids 11-, 12-, and 15-HETE from arachidonic acid and conversion into the corresponding hydroperoxides (HPETE)

10.1021/ja00524a043

The research focuses on the controlled chemical synthesis of enzymatically produced eicosanoids, specifically 11-, 12-, and 15-HETE, which are derived from arachidonic acid and are precursors to hydroperoxides (HPETEs). The purpose of the study was to develop effective and selective chemical syntheses of these biologically important compounds, filling critical gaps in previous chemical knowledge and providing multigram laboratory preparation methods. The researchers achieved this by employing new synthetic methodologies, such as the use of the magnesium derivative of isopropylcyclohexylamine (MICA) for the epoxide-allylic alcohol conversion, which proved to be superior to other reagents. Key chemicals used in the process included arachidonic acid, isopropylcyclohexylamine, methylmagnesium bromide, tetrahydrofuran (THF), sodium dihydrogen phosphate, ether, silica gel, and various other reagents for specific conversion steps. The conclusions of the research demonstrated the successful synthesis of the targeted eicosanoids and the development of new synthetic methods, which are significant for both the chemical synthesis of biologically active compounds and the understanding of enzymatic processes.