3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde

Base Information

• Chemical Name: 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde
• CAS No.: 57074-21-2
• Molecular Formula: C8H7 Cl O3
• Molecular Weight: 186.595
• European Community (EC) Number: 801-751-4
• DSSTox Substance ID: DTXSID90423784
• Nikkaji Number: J475.335F
• Wikidata: Q81985933
• Mol file: 57074-21-2.mol

Synonyms:chloroatranol

Chemical Property of 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde

Chemical Property:

• PSA: 57.53000
• LogP: 1.87210
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly),?Methanol (Slightly),
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

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

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)O)C=O)O
• Uses: 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde is lichen/fungal metabolite.

Technology Process of 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde

There total 10 articles about 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde 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: 80.0%

chloroatranol dimethyl ether (251654-48-5) → 3-chloro-2,6-dihydroxy-4-methylbenzaldehyde (57074-21-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -70 - 20 ℃;

DOI:10.1021/tx300278t

Reference yield:

chloroatranorin (479-16-3) + acetic acid (64-19-7,77671-22-8) → 3-chloro-2,6-dihydroxy-4-methylbenzaldehyde (57074-21-2) + 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester (4707-47-5)

Guidance literature:

at 150 ℃;

DOI:10.1007/BF01518658

Reference yield:

→ 3-chloro-2,6-dihydroxy-4-methylbenzaldehyde (57074-21-2)

Guidance literature:

With acetic acid; at 150 ℃;

DOI:10.1007/BF01518655

upstream raw materials:

3-chloro-5-formyl-4,6-dihydroxy-2-methyl-benzoic acid

chloroatranorin

acetic acid

ethyl hematommate

Downstream raw materials:

chloroatranol dimethyl ether

(butylidene)butylamine

3-chloro-2,6-dimethoxy-4-methyl-benzoic acid

2,5-dimethyl-1,3-benzenediol