5-Isopropyl-2-methyl-benzaldehyde

Base Information

• Chemical Name: 5-Isopropyl-2-methyl-benzaldehyde
• CAS No.: 1866-03-1
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID30410592
• Nikkaji Number: J1.594.847G
• Wikidata: Q82216765
• Mol file: 1866-03-1.mol

Synonyms:1866-03-1;5-isopropyl-2-methyl-benzaldehyde;2-methyl-5-propan-2-ylbenzaldehyde;Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI);SCHEMBL1302119;DTXSID30410592;MHYUKGZOUHPXRQ-UHFFFAOYSA-N

Chemical Property of 5-Isopropyl-2-methyl-benzaldehyde

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:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Isopropyl-2-methyl-benzaldehyde

There total 11 articles about 5-Isopropyl-2-methyl-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: 45.0%

4-methylisopropylbenzene (99-87-6) + tris(diformylamino)methane (332047-72-0) → 5-isopropyl-2-methylbenzaldehyde (1866-03-1)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at -15 - -3 ℃; for 15h;

DOI:10.1002/1099-0690(200108)2001:15<2947::AID-EJOC2947>3.0.CO;2-R

Reference yield: 45.0%

4-methylisopropylbenzene (99-87-6) + tris(diformylamino)methane (332047-72-0) → 5-isopropyl-2-methylbenzaldehyde (1866-03-1) + 1,3-di-isopropyl-4-methylbenzene (1460-98-6) + 2-Isopropyl-5-methylbenzaldehyd (33731-13-4)

Guidance literature:

4-methylisopropylbenzene; tris(diformylamino)methane; With aluminium trichloride; In 1,2-dichloro-ethane; at -15 - -3 ℃; for 15h;

With water; Heating;

DOI:10.1515/znb-2002-1116

Reference yield: 31.0%

triformylamine (25891-31-0) + 4-methylisopropylbenzene (99-87-6) → 5-isopropyl-2-methylbenzaldehyde (1866-03-1)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at -15 - -1 ℃; for 16h;

upstream raw materials:

5-isopropyl-2-methyl-benzyl alcohol

5-isopropyl-2-methylbenzyl chloride

hydrogenchloride

sulfuric acid

Downstream raw materials:

5-isopropyl-2-methyl-benzoic acid

5-isopropyl-2-methyl-benzaldehyde-semicarbazone

3-(5-isopropyl-2-methyl-phenyl)-2-pentyl-acrylaldehyde

3,5-dinitro-benzoic acid-(5-isopropyl-2-methyl-benzyl ester)