3-Phenylethynyl-benzaldehyde

Base Information

Chemical Name:3-Phenylethynyl-benzaldehyde
CAS No.:115021-39-1
Molecular Formula:C15H10 O
Molecular Weight:206.244
Hs Code.:2913000090
DSSTox Substance ID:DTXSID10389797
Nikkaji Number:J3.171.460E
Wikidata:Q82185955
Mol file:115021-39-1.mol

Synonyms:3-Phenylethynyl-benzaldehyde;115021-39-1;3-(2-phenylethynyl)benzaldehyde;3-(Phenylethynyl)benzaldehyde;3-phenylethynylbenzaldehyde;Benzaldehyde, 3-(2-phenylethynyl)-;3-(phenylethynyl)-benzaldehyde;SCHEMBL3735218;DTXSID10389797;RRMQKWJANJYKFC-UHFFFAOYSA-N;AKOS000511068;3-(Phenylethynyl)benzaldehyde, AldrichCPR;BB 0259351;CS-0441247;FT-0642799;E79162;A803286;F2167-5391

Suppliers and Price of 3-Phenylethynyl-benzaldehyde

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Phenylethynyl-benzaldehyde
50mg
$ 130.00

TRC
3-Phenylethynyl-benzaldehyde
10mg
$ 45.00

TRC
3-Phenylethynyl-benzaldehyde
100mg
$ 200.00

Matrix Scientific
3-Phenylethynyl-benzaldehyde
1g
$ 378.00

Crysdot
3-(Phenylethynyl)benzaldehyde 97%
1g
$ 374.00

Apolloscientific
3-(Phenylethynyl)benzaldehyde 95%
250mg
$ 163.00

Apolloscientific
3-(Phenylethynyl)benzaldehyde 95%
1g
$ 486.00

American Custom Chemicals Corporation
3-PHENYLETHYNYL-BENZALDEHYDE 95.00%
500MG
$ 772.70

Alichem
3-(Phenylethynyl)benzaldehyde
1g
$ 400.00

AK Scientific
3-Phenylethynyl-benzaldehyde
1g
$ 560.00

Total 7 raw suppliers

Chemical Property of 3-Phenylethynyl-benzaldehyde

Chemical Property:

Vapor Pressure:1.25E-05mmHg at 25°C
Boiling Point:368.7°Cat760mmHg
Flash Point:162.2°C
PSA：17.07000
Density:1.14g/cm³
LogP:2.89890
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.073164938
Heavy Atom Count:16
Complexity:287

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylethynyl-benzaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,N
Statements: 51/53
Safety Statements: 61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC2=CC=CC(=C2)C=O

Technology Process of 3-Phenylethynyl-benzaldehyde

There total 10 articles about 3-Phenylethynyl-benzaldehyde 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%

: 3132-99-8
m-bromobenzoic aldehyde

: 536-74-3
phenylacetylene

: 115021-39-1
diphenylacetylene-3-carboxaldehyde

Guidance literature:: With potassium phosphate; bis(η3-allyl-μ-chloropalladium(II)); N,N,N′,N′-tetra(diphenylphosphinomethyl)-1,2-ethylenediamine; In 1,4-dioxane; at 105 ℃; for 20h; Inert atmosphere;
DOI:10.1007/s10562-012-0796-2

Reference yield: 93.0%

: 87199-16-4
3-Formylphenylboronic acid

: 536-74-3
phenylacetylene

: 115021-39-1
diphenylacetylene-3-carboxaldehyde

Guidance literature:: With C₂₆H₂₂N₃OPPdS; potassium acetate; silver(l) oxide; In dichloromethane; at 35 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1016/j.tet.2014.05.087