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

Base Information

• Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethylamine
• CAS No.: 6642-35-9
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.22
• Hs Code.: 2932999099
• European Community (EC) Number: 829-377-7
• NSC Number: 15671
• DSSTox Substance ID: DTXSID10280139
• Nikkaji Number: J1.939.344E
• Wikidata: Q82013247
• ChEMBL ID: CHEMBL4563832
• Mol file: 6642-35-9.mol

Synonyms:6642-35-9;N-(1,3-benzodioxol-5-ylmethyl)-N-ethylamine;n-(1,3-benzodioxol-5-ylmethyl)ethanamine;(2H-1,3-benzodioxol-5-ylmethyl)(ethyl)amine;N-(Benzo[d][1,3]dioxol-5-ylmethyl)ethanamine;NSC15671;CHEMBL4563832;SCHEMBL12509821;DTXSID10280139;HMS1780L18;NSC 15671;NSC-15671;AKOS001075121;N-ethyl-3,4-methylenedioxy benzylamine;N-Ethyl-1,3-benzodioxole-5-methanamine;(1,3-Dioxaindan-5-ylmethyl)(ethyl)amine;[(1,3-dioxaindan-5-yl)methyl](ethyl)amine;CS-0232684;EN300-12813;N-[(2H-1,3-Benzodioxol-5-yl)methyl]ethanamine

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

Chemical Property:

• Vapor Pressure: 0.0106mmHg at 25°C
• Boiling Point: 263°C at 760 mmHg
• PKA: 9.63±0.10(Predicted)
• Flash Point: 102.7°C
• PSA: 30.49000
• Density: 1.128g/cm³
• LogP: 1.91570
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

(2H-1,3-benzodioxol-5-ylmethyl)(ethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCC1=CC2=C(C=C1)OCO2

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

There total 4 articles about N-(1,3-benzodioxol-5-ylmethyl)-N-ethylamine 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: 95.0%

piperonal (120-57-0,30024-74-9) + ethylamine (75-04-7,85404-22-4) → N-ethylpiperonylamine (6642-35-9)

Guidance literature:

piperonal; ethylamine; In methanol; at 35 ℃; for 3h; Autoclave;

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; under 3750.38 Torr; Autoclave;

Reference yield: 82.0%

N-(2H-benzo[3,4-d]-1,3-dioxolen-5-ylmethyl)acetamide (59682-83-6) → N-ethylpiperonylamine (6642-35-9)

Guidance literature:

With H₂SiEt₂; In benzene; at 70 ℃;

DOI:10.1002/ejoc.202000483

Reference yield:

→ N-ethylpiperonylamine (6642-35-9)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

piperonal

ethylamine

piperonal-ethylimine

ethanol