3-Diethylamino-1-phenylpropyne

Base Information

• Chemical Name: 3-Diethylamino-1-phenylpropyne
• CAS No.: 22396-72-1
• Molecular Formula: C13H17N
• Molecular Weight: 187.285
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID70176923
• Nikkaji Number: J51.150A
• Wikidata: Q83047257
• ChEMBL ID: CHEMBL3248611
• Mol file: 22396-72-1.mol

Synonyms:3-Diethylamino-1-phenylpropyne;22396-72-1;N,N-diethyl-3-phenylprop-2-yn-1-amine;2-Propynylamine, N,N-diethyl-3-phenyl-;N,N-Diethyl-3-phenyl-2-propynylamine;BRN 2691583;3-12-00-02835 (Beilstein Handbook Reference);2-Propyn-1-amine,N,N-diethyl-3-phenyl-;SCHEMBL46288;CHEMBL3248611;DTXSID70176923;N,N-Diethyl-3-phenylpropargylamine;MFCD00043654;STK954175;AKOS002234819;Diethyl-(3-phenyl-prop-2-ynyl)-amine;N,N-diethyl-3-phenyl-2-propyne-1-amine;2-Propyn-1-amine, N,N-diethyl-3-phenyl-;LS-125799;N,N-Diethyl-3-phenyl-2-propyn-1-amine #;N,N-diethyl-N-(3-phenyl-2-propynyl)amine;CS-0362417;FT-0615597;DIETHYL(3-PHENYLPROP-2-YN-1-YL)AMINE;Z234796354

Chemical Property of 3-Diethylamino-1-phenylpropyne

Chemical Property:

• Vapor Pressure: 0.00764mmHg at 25°C
• Boiling Point: 268.6 °C at 760 mmHg
• PKA: 8.26±0.25(Predicted)
• Flash Point: 106.3 °C
• PSA: 3.24000
• Density: 0.96 g/cm³
• LogP: 2.37990
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98%Min ^*data from raw suppliers

3-Diethylamino-1-phenylpropyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC#CC1=CC=CC=C1

Technology Process of 3-Diethylamino-1-phenylpropyne

There total 24 articles about 3-Diethylamino-1-phenylpropyne 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: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + diethylamine (109-89-7) + phenylacetylene (536-74-3) → diethyl-(3-phenyl-prop-2-ynyl)-amine (22396-72-1)

Guidance literature:

With copper dichloride; at 80 ℃; for 3h; under 150.015 Torr;

DOI:10.3184/030823407X191994

Reference yield: 99.0%

dichloromethane (75-09-2) + diethylamine (109-89-7) + phenylacetylene (536-74-3) → diethyl-(3-phenyl-prop-2-ynyl)-amine (22396-72-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80 ℃;

Reference yield: 96.0%

diiodomethane (75-11-6) + diethylamine (109-89-7) + phenylacetylene (536-74-3) → diethyl-(3-phenyl-prop-2-ynyl)-amine (22396-72-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(l) chloride; In acetonitrile; at 60 ℃; for 14h; Inert atmosphere;

DOI:10.1002/adsc.201000691

upstream raw materials:

1,4-dioxane

formaldehyd

diethylamine

phenylacetylene

Downstream raw materials:

1-Diaethylamino-3-phenylprop-2-en

2-(Diethylaminomethyl)-3-methyl-1-phenylnaphthalene

(E)-3-(diethylamino)-1-phenylprop-2-en-1-one

(Z)-3-(diethylamino)-1-phenylprop-2-en-1-one

Refernces

• 1、 Khan, Shabana,Muhammed, Shahila,Parameswaran, Pattiyil,Parvin, Nasrina,Sen, Nilanjana,Tothadi, Srinu. "Synthesis and Application of Silylene-Stabilized Low-Coordinate Ag(I)-Arene Cationic Complexes". . p. 1626 - 1632. Retrieved 2021.
• 2、 Demir Atli, Deniz,?en, Betül. "Dinuclear silver-bis(N-heterocyclic carbene) complexes: Synthesis, catalytic activity in propargylamine formation and computational studies". . p. 2289 - 2301. Retrieved 2021/09/07.
• 3、 -. "Heterogeneous catalyst Cu@COF-Me-M as well as preparation method and application thereof". Paragraph 0079-0082. . Retrieved 2021/04/14.