Methyl[(2E)-3-phenylprop-2-EN-1-YL]amine hydrochloride

Base Information

• Chemical Name: Methyl[(2E)-3-phenylprop-2-EN-1-YL]amine hydrochloride
• CAS No.: 116939-14-1
• Molecular Formula: C10H13N
• Molecular Weight: 183.681
• DSSTox Substance ID: DTXSID90589490
• Mol file: 116939-14-1.mol

Synonyms:116939-14-1;(E)-N-Methylcinnamylamine Hydrochloride;(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride;METHYL[(2E)-3-PHENYLPROP-2-EN-1-YL]AMINE HYDROCHLORIDE;(E)-N-Methyl-3-phenyl-2-propen-1-amine;(E)-N-Methylcinnamylamine Hydrochloride Salt;(E)-N-Methyl-3-phenylprop-2-en-1-amine hydrochloride;SCHEMBL9454161;SCHEMBL9454170;DTXSID90589490;DB-235288;CS-0236559;G48415;EN300-1718567;N-Methyl-3-phenylprop-2-en-1-amine hydrochloride;(2E)-N-Methyl-3-phenylprop-2-en-1-amine--hydrogen chloride (1/1);90874-38-7

Chemical Property of Methyl[(2E)-3-phenylprop-2-EN-1-YL]amine hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 3.11210
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 183.0814771
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

98% ^*data from raw suppliers

(E)-N-MethylcinnamylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC=CC1=CC=CC=C1.Cl
• Isomeric SMILES: CNC/C=C/C1=CC=CC=C1.Cl
• Uses: (E)-N-Methylcinnamylamine is an 3-amino-1-phenyl-prop-1-ene derivative with potential to inhibit and inactivate monoamine oxidase.

Technology Process of Methyl[(2E)-3-phenylprop-2-EN-1-YL]amine hydrochloride

There total 1 articles about Methyl[(2E)-3-phenylprop-2-EN-1-YL]amine hydrochloride 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: 81.0%

tert-butyl N-[(2E)-3-phenylprop-2-en-1-yl]carbamate (115270-11-6) + methyl iodide (74-88-4) → N-methyl-(E)-3-phenylprop-2-en-1-amine hydrochloride (116939-14-1)

Guidance literature:

tert-butyl N-[(2E)-3-phenylprop-2-en-1-yl]carbamate; methyl iodide; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

With hydrogenchloride; In methanol; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/acs.joc.1c00918

Reference yield: 81.3%

1-benzyloxy-3-chloromethylbenzene (24033-03-2) + N-methyl-(E)-3-phenylprop-2-en-1-amine hydrochloride (116939-14-1) → (E)-N-(3-phenyl-2-propenyl)-N-methyl-3-benzyloxybenzylamine (123926-20-5)

Guidance literature:

With sodium carbonate; In N-methyl-acetamide; water;

upstream raw materials:

tert-butyl N-[(2E)-3-phenylprop-2-en-1-yl]carbamate

methyl iodide

Downstream raw materials:

(E)-N-(3-phenyl-2-propenyl)-N-methyl-3-benzyloxybenzylamine

Refernces