3-(3,5-Dichlorophenyl)propanal

Base Information Edit

Chemical Name:3-(3,5-Dichlorophenyl)propanal
CAS No.:95333-97-4
Molecular Formula:C9H8 Cl2 O
Molecular Weight:203.07
Hs Code.:2913000090
DSSTox Substance ID:DTXSID10592880
Nikkaji Number:J3.449.139I
Wikidata:Q82487230
Mol file:95333-97-4.mol

Synonyms:95333-97-4;3-(3,5-Dichlorophenyl)propanal;3-(3,5-DICHLORO-PHENYL)-PROPIONALDEHYDE;Benzenepropanal, 3,5-dichloro-;SCHEMBL7335595;DTXSID10592880;GJSMIWZLHQYITP-UHFFFAOYSA-N;3-(3,5-dichlorophenyl)-propionaldehyde;EN300-1966566

Suppliers and Price of 3-(3,5-Dichlorophenyl)propanal

Supply Marketing:Edit

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

American Custom Chemicals Corporation
3-(3,5-DICHLORO-PHENYL)-PROPIONALDEHYDE 95.00%
5MG
$ 505.59

Alichem
3,5-Dichlorophenylpropanal
1g
$ 1534.70

Alichem
3,5-Dichlorophenylpropanal
500mg
$ 798.70

Alichem
3,5-Dichlorophenylpropanal
250mg
$ 489.60

Total 3 raw suppliers

Chemical Property of 3-(3,5-Dichlorophenyl)propanal Edit

Chemical Property:

Vapor Pressure:0.00661mmHg at 25°C
Refractive Index:1.542
Boiling Point:271°C at 760 mmHg
Flash Point:112.4°C
PSA：17.07000
Density:1.269g/cm³
LogP:3.12490
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:201.9952203
Heavy Atom Count:12
Complexity:140

Purity/Quality:

97% ^*data from raw suppliers

3-(3,5-DICHLORO-PHENYL)-PROPIONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1Cl)Cl)CCC=O

Technology Process of 3-(3,5-Dichlorophenyl)propanal

There total 6 articles about 3-(3,5-Dichlorophenyl)propanal 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: 66.0%

: 3032-81-3
3,5-dichloroiodobenzene

: 107-18-6
allyl alcohol

: 95333-97-4
3-(3,5-dichlorophenyl)propan-1-al

Guidance literature:: With tetrabutylammomium bromide; sodium acetate; palladium diacetate; lithium chloride; In N,N-dimethyl-formamide; at 40 ℃;
DOI:10.1021/acs.jmedchem.5b00561

Reference yield:

: 10203-08-4
3,5-dichlorobenzaldehyde

: 95333-97-4
3-(3,5-dichlorophenyl)propan-1-al

Guidance literature:: Multi-step reaction with 4 steps

1: 69 percent / piperidine / 1.) 100 deg C, 2 h, 2.) 155 deg C, 1 h

2: 95 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 5 h / 2585.7 Torr

3: 98 percent / 1 M BH₃*THF / tetrahydrofuran / 2 h / Ambient temperature

4: 1.) oxalyl chloride, Me₂SO, 2.) NEt₃ / 1.) CH₂Cl₂, -60 deg C, 10 min, 2.) CH₂Cl₂, -60 deg C, 5 min

With piperidine; borane-THF; oxalyl dichloride; hydrogen; dimethyl sulfoxide; triethylamine; palladium on activated charcoal; In tetrahydrofuran;
DOI:10.1021/jm00386a008

Reference yield:

: 20595-53-3,90418-21-6
3-(3,5-dichlorophenyl)-2-propenoic acid

: 95333-97-4
3-(3,5-dichlorophenyl)propan-1-al

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 5 h / 2585.7 Torr

2: 98 percent / 1 M BH₃*THF / tetrahydrofuran / 2 h / Ambient temperature

3: 1.) oxalyl chloride, Me₂SO, 2.) NEt₃ / 1.) CH₂Cl₂, -60 deg C, 10 min, 2.) CH₂Cl₂, -60 deg C, 5 min

With borane-THF; oxalyl dichloride; hydrogen; dimethyl sulfoxide; triethylamine; palladium on activated charcoal; In tetrahydrofuran;
DOI:10.1021/jm00386a008