N-(4-methoxybenzyl)cyclopropanamine

Base Information

• Chemical Name: N-(4-methoxybenzyl)cyclopropanamine
• CAS No.: 70894-71-2
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• Hs Code.: 2922299090
• European Community (EC) Number: 820-443-0
• ChEMBL ID: CHEMBL3229269
• DSSTox Substance ID: DTXSID50405985
• Wikidata: Q82210787
• Mol file: 70894-71-2.mol

Synonyms:N-(4-methoxybenzyl)cyclopropanamine;70894-71-2;N-[(4-methoxyphenyl)methyl]cyclopropanamine;MFCD07310991;SCHEMBL923407;CHEMBL3229269;DTXSID50405985;QVRKRVOSGOVKPC-UHFFFAOYSA-N;HMS1745M21;N-(4-Methoxybenzyl)cyclopropanamne;AKOS000264142;N-cyclopropyl-N-(4-methoxybenzyl)amine;AS-11301;BB 0218417;CS-0071268;EN300-13666;C78414;N-(4-methoxybenzyl)cyclopropanamine, AldrichCPR;A923783;AN-465/42886953;J-523066;Z86138857;F1911-1787

Chemical Property of N-(4-methoxybenzyl)cyclopropanamine

Chemical Property:

• Vapor Pressure: 0.00447mmHg at 25°C
• Boiling Point: 277.6°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 21.26000
• Density: 1.05g/cm³
• LogP: 2.33810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Methoxybenzyl)cyclopropanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNC2CC2

Technology Process of N-(4-methoxybenzyl)cyclopropanamine

There total 4 articles about N-(4-methoxybenzyl)cyclopropanamine 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: 90.0%

→ N-[(4-methoxyphenyl)methyl]cyclopropanamine (70894-71-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

Reference yield:

Cyclopropyl-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amine → N-[(4-methoxyphenyl)methyl]cyclopropanamine (70894-71-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; dichloromethane; at 5 - 20 ℃; for 22h;

DOI:10.1016/j.molstruc.2015.08.053

Reference yield:

4-methoxy-benzaldehyde (123-11-5) + Cyclopropylamine (765-30-0) → N-[(4-methoxyphenyl)methyl]cyclopropanamine (70894-71-2)

Guidance literature:

4-methoxy-benzaldehyde; Cyclopropylamine; With titanium(IV) isopropylate; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201505916

upstream raw materials:

4-methoxy-benzaldehyde

Cyclopropylamine