2-Hydroxy-4,5-dimethylbenzaldehyde

Base Information

• Chemical Name: 2-Hydroxy-4,5-dimethylbenzaldehyde
• CAS No.: 1666-03-1
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2912499000
• European Community (EC) Number: 825-001-0
• DSSTox Substance ID: DTXSID30428273
• Wikidata: Q82241086
• Mol file: 1666-03-1.mol

Synonyms:2-hydroxy-4,5-dimethylbenzaldehyde;1666-03-1;2-Hydroxy-4,5-dimethyl-benzaldehyde;2-Oxy-4,5-dimethylbenzaldehyd;SCHEMBL1397558;DTXSID30428273;PWFKERWVXUISSK-UHFFFAOYSA-N;4,5-Dimethyl-2-hydroxybenzaldehyde;AKOS000111562;CS-0263540;EN300-87975;2-hydroxy-4,5-dimethyl-benzaldehyde, AldrichCPR;A810749;J-010301;Z1198170081

Chemical Property of 2-Hydroxy-4,5-dimethylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0205mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.589
• Boiling Point: 243.5°C at 760 mmHg
• PKA: 8.60±0.23(Predicted)
• Flash Point: 99.8°C
• PSA: 37.30000
• Density: 1.136g/cm³
• LogP: 1.82150
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxy-4,5-dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)O)C=O

Technology Process of 2-Hydroxy-4,5-dimethylbenzaldehyde

There total 14 articles about 2-Hydroxy-4,5-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: 89.0%

4,5-dimethyl-2-hydroxybenzyl alcohol (10496-92-1) → 4,5-dimethylsalicylaldehyde (1666-03-1)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; for 0.0833333h;

DOI:10.1021/jo01297a010

Reference yield: 85.0%

2-methoxy-4,5-dimethylbenzaldehyde (86582-31-2) → 4,5-dimethylsalicylaldehyde (1666-03-1)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 10h; Inert atmosphere;

Reference yield: 85.0%

→ 4,5-dimethylsalicylaldehyde (1666-03-1)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 10h; Inert atmosphere;

upstream raw materials:

3,4-Dimethylphenol

hydrogen cyanide

chloroform

hexamethylenetetramine

Downstream raw materials:

(E)-4,5-dimethyl-2-styrylphenol

3-bromo-4,5-dimethylpyrocatechol

Refernces

• 1、 Mazzei, Luca,Contaldo, Umberto,Musiani, Francesco,Cianci, Michele,Bagnolini, Greta,Roberti, Marinella,Ciurli, Stefano. "Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies". supporting information. p. 6029 - 6035. Retrieved 2021/02/09.
• 2、 Chen, Xiao-Yang,Ozturk, Seyma,Sorensen, Erik J.. "Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group". supporting information. p. 6280 - 6283. Retrieved 2017/12/08.