N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine

Base Information

• Chemical Name: N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine
• CAS No.: 58343-42-3
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.294
• DSSTox Substance ID: DTXSID90405287
• Nikkaji Number: J535.823J

Synonyms:934022-80-7;(1E)-1-(1,3-dioxaindan-5-yl)-N-cyclohexylmethanimine;(E)-1-(Benzo[d][1,3]dioxol-5-yl)-N-cyclohexylmethanimine;58343-42-3;ST50559166;SCHEMBL9352791;SCHEMBL9860734;DTXSID90405287;VLRUOGHIEVUWEB-UHFFFAOYSA-N;AKOS003242566;CS-0267389;EN300-6745254;N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine;N-(3,4-methylenedioxybenzylidene)-N-cyclohexylamine;BENZO(1,3)DIOXOL-5-YLMETHYLENE-CYCLOHEXYL-AMINE

Chemical Property of N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine

Chemical Property:

• Melting Point: 65-66 °C
• Boiling Point: 355.8±31.0 °C(Predicted)
• PSA: 30.82000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 3.16690
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N=CC2=CC3=C(C=C2)OCO3

Technology Process of N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine

There total 2 articles about N-(1,3-benzodioxol-5-ylmethylene)cyclohexanamine 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%

piperonal (120-57-0,30024-74-9) + cyclohexylamine (108-91-8,157973-60-9) → N-(3,4-methylenedioxybenzylidene)-N-cyclohexylamine (58343-42-3)

Guidance literature:

In neat (no solvent); at 60 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.1016/j.bmc.2019.115210

Reference yield:

methyl 2-iodo-3,4,5-tri-methoxybenzoate (214260-74-9) + 2-Br-4,5-(OCH2O)C6H2C(H)=N(Cy) (58343-51-4) → N-(3,4-methylenedioxybenzylidene)-N-cyclohexylamine (58343-42-3) + 4,5,6,4',5',6'-Hexamethoxy-biphenyl-2,2'-dicarboxylic acid dimethyl ester (4891-62-7,65995-60-0,71307-89-6) + C28H32N2O4 (61599-83-5) + 2-{6-[(Z)-Cyclohexyliminomethyl]-benzo[1,3]dioxol-5-yl}-3,4,5-trimethoxy-benzoic acid methyl ester

Guidance literature:

With n-butyllithium; triethylphosphite copper(I) iodide complex; Multistep reaction. Further byproducts given;

DOI:10.1021/ja00522a058

Reference yield: 97.0%

N-(3,4-methylenedioxybenzylidene)-N-cyclohexylamine (58343-42-3) + methyl iodide (74-88-4) → 2-Methyl-3,4-(methylenedioxy)benzaldehyde Cyclohexylimine

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; -50 deg C to r.t.;

DOI:10.1021/jo00061a020

upstream raw materials:

piperonal

cyclohexylamine

methyl 2-iodo-3,4,5-tri-methoxybenzoate

2-Br-4,5-(OCH₂O)C₆H₂C(H)=N(Cy)

Downstream raw materials:

5-Formyl-benzo[1,3]dioxole-4-carboxylic acid ethyl ester

Cyclohexyl-[1-(4-methylsulfanyl-benzo[1,3]dioxol-5-yl)-meth-(Z)-ylidene]-amine

C₁₄H₁₆LiNO₂

3,4-methylenedioxy-2-(3,4-dimethoxy-α-hydroxybenzyl)benzaldehyde

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