3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde

Base Information

• Chemical Name: 3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde
• CAS No.: 81322-67-0
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00391566
• Wikidata: Q82189112
• Mol file: 81322-67-0.mol

Synonyms:3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde;81322-67-0;3,5-dimethyl-4-chloro-2-formylphenol;3-Chloro-6-hydroxy-2,4-dimethyl-benzaldehyde;3-chloro-2,4-dimethyl-6-hydroxybenzaldehyde;SCHEMBL2923107;DTXSID00391566;NXNLQPJNVDGFOE-UHFFFAOYSA-N;MFCD00732125;5-chloro-4,6-dimethyl-salicylaldehyde;AKOS000103410;PS-8513;SB85424;BP-10500;CS-0172049;FT-0641819;2,4-Dimethyl-3-Chloro-6-Hydroxybenzaldehyde;EN300-200903;A922793;3-chloro-6-hydroxy-2,4-dimethyl-benzaldehyde, AldrichCPR

Chemical Property of 3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Melting Point: 89-90 °C
• Refractive Index: 1.615
• Boiling Point: 272.5 °C at 760 mmHg
• PKA: 7.97±0.28(Predicted)
• Flash Point: 118.6 °C
• PSA: 37.30000
• Density: 1.281 g/cm³
• LogP: 2.47490
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2,4-dimethyl-6-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C)C=O)O

Technology Process of 3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde

There total 9 articles about 3-Chloro-6-hydroxy-2,4-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: 86.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-Chloro-3,5-dimethylphenol (88-04-0) → 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde (81322-67-0)

Guidance literature:

With triethylamine; magnesium chloride; In tetrahydrofuran; for 24h; Reflux;

DOI:10.1039/c4ob01743a

Reference yield: 70.0%

dichloromethyl-methyl ether + 4-Chloro-3,5-dimethylphenol (88-04-0) → 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde (81322-67-0)

Guidance literature:

titanium tetrachloride; In dichloromethane;

Reference yield:

4-Chloro-3,5-dimethylphenol (88-04-0) + Dichloromethyl methyl ether (4885-02-3) → 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde (81322-67-0)

Guidance literature:

Dichloromethyl methyl ether; With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.25h;

4-Chloro-3,5-dimethylphenol; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.8b02785

upstream raw materials:

4-Chloro-3,5-dimethylphenol

hexamethylenetetramine

formaldehyd

3,5-dimethylmethoxybenzene

Downstream raw materials:

C₁₂H₈ClNO₂

3-chloro-6-hydroxy-2,4-dimethyl-5-nitro-benzaldehyde

3-chloro-6-hydroxy-2,4-dimethyl-benzaldehyde-oxime

4-chloro-2,3,5-trimethylphenol

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