N-benzylprop-2-yn-1-amine

Base Information

• Chemical Name: N-benzylprop-2-yn-1-amine
• CAS No.: 1197-51-9
• Molecular Formula: C10H11 N
• Molecular Weight: 145.204
• Hs Code.: 2921499090
• European Community (EC) Number: 214-827-1
• NSC Number: 203434
• UNII: P8D34H25RW
• DSSTox Substance ID: DTXSID40152552
• Nikkaji Number: J217.039F
• Wikidata: Q63409392
• ChEMBL ID: CHEMBL1322
• Mol file: 1197-51-9.mol

Synonyms:N-propargylbenzylamine;N-propargylbenzylamine hydrochloride

Chemical Property of N-benzylprop-2-yn-1-amine

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Boiling Point: 244.6°Cat760mmHg
• Flash Point: 103.7°C
• PSA: 12.03000
• Density: 0.982g/cm³
• LogP: 1.80030
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 145.089149355
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzylprop-2-ynylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCNCC1=CC=CC=C1

Technology Process of N-benzylprop-2-yn-1-amine

There total 36 articles about N-benzylprop-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: 94.0%

benzyl bromide (100-39-0) + Propargylamine (2450-71-7) → N-propargylbenzylamine (1197-51-9)

Guidance literature:

With potassium carbonate; In acetonitrile; at 90 ℃; for 12h; Inert atmosphere;

Reference yield: 91.0%

N-(tert-butoxycarbonyl)-N-benzyl-3-amino-1-propyne → N-propargylbenzylamine (1197-51-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 4h;

DOI:10.1021/acs.orglett.7b02166

Reference yield: 89.0%

propargyl bromide (106-96-7) + benzylamine (100-46-9) → N-propargylbenzylamine (1197-51-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 20 ℃; for 14h; Dean-Stark;

DOI:10.1039/c5ob00356c

upstream raw materials:

Pargyline

3-Iminobenzyl-1-propin

N-benzyl N-propargylbis-dimethylphosphoramide

(Benzyl-prop-2-ynyl-amino)-acetonitrile

Downstream raw materials:

2-(benzyl-prop-2-ynyl-amino)-2,3-dihydro-naphtho[2,3-e][1,3]oxazin-4-one

cis-N-Benzyliden-1-propenylamin

(E) phenyl-1 aza-2 pentadiene-1,3

N-benzyl-N-(trimethylsilyl)-2-propin-1-amine

Refernces

• 1、 De Ruysscher, Dries,Pang, Luping,Lenders, Stijn M.G.,Cappoen, Davie,Cos, Paul,Rozenski, Jef,Strelkov, Sergei V.,Weeks, Stephen D.,Van Aerschot, Arthur. "Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors". . . Retrieved 2021.
• 2、 Althuon, Daniela,R?nicke, Franziska,Fürniss, Daniel,Quan, Jasmin,Wellh?fer, Isabelle,Jung, Nicole,Schepers, Ute,Br?se, Stefan. "Functionalized triazolopeptoids-a novel class for mitochondrial targeted delivery". . p. 4226 - 4230. Retrieved 2015.
• 3、 Song, Qing-Wen,He, Liang-Nian. "Robust Silver(I) Catalyst for the Carboxylative Cyclization of Propargylic Alcohols with Carbon Dioxide under Ambient Conditions". . p. 1251 - 1258. Retrieved 2016.
• 4、 Igual, Michelle O.,Nunes, Paulo S.G.,da Costa, Rafael M.,Mantoani, Susimaire P.,Tostes, Rita C.,Carvalho, Ivone. "Novel glucopyranoside C2-derived 1,2,3-triazoles displaying selective inhibition of O-GlcNAcase (OGA)". . p. 43 - 55. Retrieved 2019.
• 5、 Chen, Zimin,Yuan, Weiming. "N-Cyanation of Primary and Secondary Amines with Cyanobenzio-doxolone (CBX) Reagent". supporting information. p. 14836 - 14840. Retrieved 2021/09/30.
• 6、 -. "Pyridone hexa-alkyne amine modified derivative and preparation method and application thereof". Paragraph 0085; 0090. . Retrieved 2021/03/30.