3,5-Dimethylbenzaldehyde

Base Information

• Chemical Name: 3,5-Dimethylbenzaldehyde
• CAS No.: 5779-95-3
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29122990
• European Community (EC) Number: 675-424-8
• DSSTox Substance ID: DTXSID00206484
• Nikkaji Number: J358.304J
• Wikidata: Q72469360
• Mol file: 5779-95-3.mol

Synonyms:3,5-Dimethylbenzaldehyde;5779-95-3;Benzaldehyde, 3,5-dimethyl-;3,5-Dimethyl benzaldehyde;MFCD00082777;m-Xylene-5-carboxaldehyde;3,5-DiMethyl-Benzaldehyde;3,5-dimehtylbenzaldehyde;3,5-Dimethylbenzaldehyde #;SCHEMBL280640;3,5-Dimethylbenzaldehyde, 97%;DTXSID00206484;BBL101511;STL555307;AKOS005259237;AB03134;CS-W002343;GS-3349;HY-W002343;PD166616;SY017857;AM20060352;D3498;FT-0614687;EN300-55729;A831606;F8880-1625;Z838973254

Chemical Property of 3,5-Dimethylbenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.11mmHg at 25°C
• Melting Point: 8-10 °C
• Refractive Index: n20/D 1.538(lit.)
• Boiling Point: 221 °C at 760 mmHg
• Flash Point: 87.5 °C
• PSA: 17.07000
• Density: 1.003 g/cm³
• LogP: 2.11590
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible with water.
• XLogP3: 2.2
• 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:

99% ^*data from raw suppliers

3,5-Dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: CC1=CC(=CC(=C1)C=O)C
• Uses: 3,5-Dimethylbenzaldehyde is used to produce 2,3-bis-(3,5-dimethyl-phenyl)-succinonitrile by heating along with reagent NaCN and solvent H2O, methanol.

Technology Process of 3,5-Dimethylbenzaldehyde

There total 68 articles about 3,5-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%

3,5-dimethylbenzyl alcohol (27129-87-9) → 3,5-dimethylbenzaldehyde (5779-95-3)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; oxygen; nitric acid; at 20 ℃; for 5h;

DOI:10.1002/ejoc.201601339

Reference yield: 93.0%

3,5-dimethylbenzoic acid (499-06-9) → 3,5-dimethylbenzaldehyde (5779-95-3)

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: 91.0%

3,5-dimethylbenzyliodide (35509-95-6) → 3,5-dimethylbenzaldehyde (5779-95-3)

Guidance literature:

With vanadia; periodic acid; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 70 ℃; for 4h; Reagent/catalyst; Green chemistry;

DOI:10.1007/s11696-018-0657-6

upstream raw materials:

formaldehyd

1-bromomethyl-3,5-dimethylbenzene

3,5-dimethyphenylmagnesium bromide

formic acid ethyl ester

Downstream raw materials:

3,5-Dimethyl-α--zimtsaeure

1-(5-chloro-2-benzofuranyl)-3-(3,5-xylyl)-2-propen-1-one

1-(5-methyl-2-benzofuranyl)-3-(3,5-xylyl)-2-propen-1-one

[Fe(H₂O)(((CH₃)2C₆H₃CC₄(CH₃)2N)4)]⁽¹⁺⁾*ClO₄^(1-)=[Fe(H₂O)(((CH₃)2C₆H₃CC₄(CH₃)2N)4)]ClO₄

Refernces

• 1、 Santra, Sourav K.,Szpilman, Alex M.. "Visible-Spectrum Solar-Light-Mediated Benzylic C-H Oxygenation Using 9,10-Dibromoanthracene As an Initiator". . p. 1164 - 1171. Retrieved 2020/12/23.
• 2、 Jagatheesan, Rathinavel,Shanmugavelan, Poovan,Sambathkumar, Subramaniyan,Ramesh, Pugalenthi. "An expeditious and efficient method for the oxidation of benzyl alcohols by homogeneous electrolysis". supporting information. p. 3013 - 3022. Retrieved 2021/08/12.