2,6-Dimethylbenzaldehyde

Base Information

• Chemical Name: 2,6-Dimethylbenzaldehyde
• CAS No.: 1123-56-4
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29122990
• European Community (EC) Number: 877-950-5
• DSSTox Substance ID: DTXSID40342693
• Nikkaji Number: J328.260K
• Wikidata: Q72469358
• Mol file: 1123-56-4.mol

Synonyms:2,6-Dimethylbenzaldehyde;1123-56-4;BENZALDEHYDE, 2,6-DIMETHYL-;MFCD00128003;m-Xylene-2-carboxaldehyde;2,6-DiMethyl-Benzaldehyde;2,6-dimethylbenzaldehyd;2,6-Dimethyl benzaldehyde;SCHEMBL66979;2,6-Dimethylbenzaldehyde, 97%;DTXSID40342693;BBL103183;CL8253;STL556993;AKOS005255233;CS-W007640;PS-6110;SY002379;A2257;AM20050097;D3681;FT-0633367;EN300-82115;A802559;W-204781;F8889-9343;Z1233237340

Chemical Property of 2,6-Dimethylbenzaldehyde

Chemical Property:

• Appearance/Colour: Colorless to yellow liquid or low melting solid
• Vapor Pressure: 0.122mmHg at 25°C
• Melting Point: 27-30 °C(lit.)
• Refractive Index: 1.551
• Boiling Point: 219.1 °C at 760 mmHg
• Flash Point: 90 °C
• PSA: 17.07000
• Density: 1.003 g/cm³
• LogP: 2.11590
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

2,6-Dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)C=O
• Uses: 2,6-Dimethylbenzaldehyde has been used as a catalyst for steresopecific polymerization of propylene, and as well, has been used to study the control of postharvest botrytis fruit rot of strawberry and how the volatile Candida intermedia produced, effects mycelial growth of Botrytis cinerea.

Technology Process of 2,6-Dimethylbenzaldehyde

There total 35 articles about 2,6-Dimethylbenzaldehyde 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: 99.0%

2-Bromo-m-xylene (576-22-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,6-dimethylbenzaldehyde (1123-56-4)

Guidance literature:

2-Bromo-m-xylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; for 1h;

Reference yield: 83.0%

2,6-dimethylbenzoic acid (632-46-2) → 2,6-dimethylbenzaldehyde (1123-56-4)

Guidance literature:

With dipotassium hydrogenphosphate; fac-tris(2-phenylpyridinato-N,C₂')iridium(III); tris-(trimethylsilyl)silane; dimethyl dicarbonate; In acetonitrile; at 20 ℃; for 6h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1039/c7cc05570f

Reference yield: 83.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 2,6-dimethylphenyl trifluoromethanesulphonate (86364-02-5) → 2,6-dimethylbenzaldehyde (1123-56-4)

Guidance literature:

With triethylsilane; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium acetate; In acetonitrile; at 25 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001328

upstream raw materials:

2,6-dimethylbenzoyl chloride

2,6-dimethylstyrene

2-methylphenyl aldehyde

methyl iodide

Downstream raw materials:

5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin

2-(2,6-dimethylphenyl)-1,3-dioxoindane

ethyl (E)-3-(2,6-dimethylphenyl)-2-propenoate

[1R,2S,(S)S]-1-(2,6-dimethyl)phenyl-2-methylthio-2-[2-(p-tolylsulfinyl)-phenyl]-1-ethanol

Refernces

• 1、 Ryang et al.. "-". . p. 341,343. Retrieved 1964.
• 2、 Myeong et al.. "-". . p. 330. Retrieved 1965.
• 3、 Xiang,Wu,Hruby. "Stereoselective synthesis of all individual isomers of β-methyl-2',6'-dimethylphenylalanine". . p. 83 - 86. Retrieved 1995.
• 4、 -. "PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS". . . Retrieved 2022/01/04.
• 5、 Dogga, Bhushanarao,Joseph, Jayan T.,Kumar, C. S. Ananda. "Palladium-Catalyzed Reductive Carbonylation of (Hetero) Aryl Halides and Triflates Using Cobalt Carbonyl as CO Source". supporting information. p. 309 - 313. Retrieved 2020/12/23.