N-(4-methoxybenzyl)prop-2-yn-1-amine

Base Information

• Chemical Name: N-(4-methoxybenzyl)prop-2-yn-1-amine
• CAS No.: 98729-72-7
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• DSSTox Substance ID: DTXSID30406051
• Nikkaji Number: J3.174.214E
• Mol file: 98729-72-7.mol

Synonyms:N-(4-methoxybenzyl)prop-2-yn-1-amine;98729-72-7;N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine;CHEMBRDG-BB 9071620;[(4-METHOXYPHENYL)METHYL](PROP-2-YN-1-YL)AMINE;(4-METHOXYBENZYL)2-PROPYN-1-YLAMINE;STK511465;SCHEMBL22729788;DTXSID30406051;AKOS000223789;CS-0329971

Chemical Property of N-(4-methoxybenzyl)prop-2-yn-1-amine

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

N-(4-methoxybenzyl)-2-propyn-1-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNCC#C

Technology Process of N-(4-methoxybenzyl)prop-2-yn-1-amine

There total 7 articles about N-(4-methoxybenzyl)prop-2-yn-1-amine 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: 85.0%

rac-cysteine (921-01-7,3374-22-9,4371-52-2,40143-64-4,40143-66-6,40143-69-9,52-90-4) + N-(4-methoxybenzyl)-2,4-dinitro-N-(prop-2-yn-yl)benzenesulfonamide → N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine (98729-72-7) + S-(2,4-Dinitrophenyl)-cystein (3165-76-2) + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3)

Guidance literature:

In aq. phosphate buffer; for 0.5h; pH=7.4;

DOI:10.1016/j.bmcl.2015.04.046

Reference yield: 72.0%

4-methoxy-benzylamine (2393-23-9) + propargyl bromide (106-96-7) → N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine (98729-72-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1016/j.bioorg.2021.105013

Reference yield: 65.0%

C21H26O2Si (1243121-54-1) + 4-methoxy-benzylamine (2393-23-9) → N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine (98729-72-7)

Guidance literature:

at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1002/chem.201203366

upstream raw materials:

4-methoxy-benzaldehyde

Propargylamine

C₂₁H₂₆O₂Si

4-methoxy-benzylamine

Downstream raw materials:

N-(4-methoxybenzyl)-N-propargyl-1H-indole-2-carboxamide

3-(4-methoxybenzyl)-5-methyleneoxazolidin-2-one

5-chloro-2-(4-methoxybenzyl)-2,3-dihydroisoindol-1-one

C₁₆H₁₄ClN₃O₂