4-Isopropyl-3-methylbenzaldehyde

Base Information

Chemical Name:4-Isopropyl-3-methylbenzaldehyde
CAS No.:40663-69-2
Molecular Formula:C11H14O
Molecular Weight:162.22826
Hs Code.:2912299000
DSSTox Substance ID:DTXSID30598384
Wikidata:Q82494134
Mol file:40663-69-2.mol

Synonyms:40663-69-2;4-Isopropyl-3-methylbenzaldehyde;BENZALDEHYDE, 3-METHYL-4-(1-METHYLETHYL)-;SCHEMBL8031911;DTXSID30598384;GS2731;AKOS020025006;3-Methyl-4-(propan-2-yl)benzaldehyde;DB-284843;Benzaldehyde,3-methyl-4-(1-methylethyl)-(9ci)

Suppliers and Price of 4-Isopropyl-3-methylbenzaldehyde

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
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price

Total 1 raw suppliers

Chemical Property of 4-Isopropyl-3-methylbenzaldehyde

Chemical Property:

PSA：17.07000
LogP:2.93090
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:162.104465066
Heavy Atom Count:12
Complexity:151

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C=O)C(C)C

Technology Process of 4-Isopropyl-3-methylbenzaldehyde

There total 3 articles about 4-Isopropyl-3-methylbenzaldehyde 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: 75.0%

: 80041-89-0
isopropylboronic acid

: 716344-13-7
trifluoromethanesulfonic acid 4-formyl-2-methylphenyl ester

: 40663-69-2
4-isopropyl-3-methylbenzaldehyde

Guidance literature:: With potassium phosphate; C₂₀H₃₄O₃P₂; [Pd(cinnamyl)Cl]₂; In toluene; at 110 ℃; for 12h; Inert atmosphere;
DOI:10.1039/c7ob02531a

Reference yield:

: 15174-69-3
4-hydroxy-3-methyl-benzaldehyde

: 40663-69-2
4-isopropyl-3-methylbenzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 14 h / -78 - 20 °C / Inert atmosphere

2: [Pd(cinnamyl)Cl]₂; potassium phosphate; C₂₀H₃₄O₃P₂ / toluene / 12 h / 110 °C / Inert atmosphere

With potassium phosphate; C₂₀H₃₄O₃P₂; [Pd(cinnamyl)Cl]₂; triethylamine; In dichloromethane; toluene; 2: |Suzuki-Miyaura Coupling;
DOI:10.1039/c7ob02531a