2-Propynal, 3-[4-(dimethylamino)phenyl]-

Base Information

Chemical Name:2-Propynal, 3-[4-(dimethylamino)phenyl]-
CAS No.:85609-01-4
Molecular Formula:C11H11NO
Molecular Weight:173.214
Hs Code.:
DSSTox Substance ID:DTXSID20449573
Nikkaji Number:J890.583E

Synonyms:2-Propynal, 3-[4-(dimethylamino)phenyl]-;85609-01-4;SCHEMBL8063434;DTXSID20449573;3-[4-(Dimethylamino)phenyl]propynal

Suppliers and Price of 2-Propynal, 3-[4-(dimethylamino)phenyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Propynal, 3-[4-(dimethylamino)phenyl]-

Chemical Property:

Melting Point:86-88 °C
Boiling Point:315.6±25.0 °C(Predicted)
PSA：20.31000
Density:1.08±0.1 g/cm3(Predicted)
LogP:1.30300
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C1=CC=C(C=C1)C#CC=O

Technology Process of 2-Propynal, 3-[4-(dimethylamino)phenyl]-

There total 7 articles about 2-Propynal, 3-[4-(dimethylamino)phenyl]- 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: 89.0%

: 193957-50-5
3-(4-(N,N-dimethylamino)phenyl)prop-2-yn-1-ol

: 85609-01-4
[4-(dimethylamino)phenyl]propargyl aldehyde

Guidance literature:: With manganese(IV) oxide; In dichloromethane; for 4h; Ambient temperature;
DOI:10.1021/ja964366g

Reference yield:

: 698-70-4
4-Iodo-N,N-dimethylaniline

: 85609-01-4
[4-(dimethylamino)phenyl]propargyl aldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / PdCl₂(PPh₃)2; CuI₂; Et₃N

2: 64 percent / MnO₂ / CH₂Cl₂

With manganese(IV) oxide; bis-triphenylphosphine-palladium(II) chloride; copper(II) iodide; triethylamine; In dichloromethane; 1: Heck coupling;
DOI:10.1021/jm020260m

Reference yield:

: 121-69-7,77733-26-7
N,N-dimethyl-aniline

: 85609-01-4
[4-(dimethylamino)phenyl]propargyl aldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / I₂, aq. NaHCO₃ / 12 deg C to rt

2: 89 percent / Cl₂Pd(PPh₃)2, CuI, Et₃N / 18 h / Ambient temperature

3: 89 percent / MnO₂ / CH₂Cl₂ / 4 h / Ambient temperature

With manganese(IV) oxide; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; iodine; sodium hydrogencarbonate; triethylamine; In dichloromethane;
DOI:10.1021/ja964366g