N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

Base Information

• Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
• CAS No.: 114413-77-3
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.283
• Hs Code.: 2932999099
• European Community (EC) Number: 858-019-2
• DSSTox Substance ID: DTXSID60357921
• Wikidata: Q27454421
• Mol file: 114413-77-3.mol

Synonyms:114413-77-3;N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine;(1,3-benzodioxol-5-ylmethyl)cyclopentylamine;Benzo[1,3]dioxol-5-ylmethyl-cyclopentyl-amine;N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylamine;N-(Benzo[d][1,3]dioxol-5-ylmethyl)cyclopentanamine;N-[(2H-1,3-Benzodioxol-5-yl)methyl]cyclopentanamine;45N;Cambridge id 5546816;Oprea1_868023;DTXSID60357921;HMS1686G03;BBL018684;MFCD01468985;STK232840;AKOS000303464;CS-0224206;EN300-11824;n-(1,3-Dioxaindan-5-ylmethyl)cyclopentanamine;AB00088425-01;N-[(1,3-dioxaindan-5-yl)methyl]cyclopentanamine;Q27454421;Z57326449;F1967-9574

Chemical Property of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

Chemical Property:

• Vapor Pressure: 0.000153mmHg at 25°C
• Boiling Point: 331.7°C at 760 mmHg
• PKA: 9.49±0.20(Predicted)
• Flash Point: 134.3°C
• PSA: 30.49000
• Density: 1.16g/cm³
• LogP: 2.83840
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

N-(1,3-Benzodioxol-5-ylmethyl)cyclopentanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NCC2=CC3=C(C=C2)OCO3

Technology Process of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

There total 1 articles about N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine 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: 30.0%

piperonal (120-57-0,30024-74-9) + Cyclopentamine (1003-03-8) → N-[(1,3-benzodioxol-5-yl)methyl]cyclopentanamine (114413-77-3)

Guidance literature:

piperonal; Cyclopentamine; In dichloromethane; Molecular sieve;

With sodium tris(acetoxy)borohydride; In dichloromethane; Molecular sieve;

DOI:10.1002/cmdc.201600563

upstream raw materials:

piperonal

Cyclopentamine

Refernces