Resorcinol, 4,6-dichloro-5-methyl-

Base Information

• Chemical Name: Resorcinol, 4,6-dichloro-5-methyl-
• CAS No.: 63992-61-0
• Molecular Formula: C7H6 Cl2 O2
• Molecular Weight: 193.029
• DSSTox Substance ID: DTXSID40213970
• Nikkaji Number: J85.005E
• Wikidata: Q83089670
• Metabolomics Workbench ID: 160662
• Mol file: 63992-61-0.mol

Synonyms:Resorcinol, 4,6-dichloro-5-methyl-;63992-61-0;4,6-Dichloro-5-methylresorcinol;BRN 2557128;Dichloroorcinol;DTXSID40213970;2,6-dichloro-3,5-dihydroxytoluene

Chemical Property of Resorcinol, 4,6-dichloro-5-methyl-

Chemical Property:

• Vapor Pressure: 0.000927mmHg at 25°C
• Boiling Point: 294.4°C at 760 mmHg
• Flash Point: 131.8°C
• PSA: 40.46000
• Density: 1.526g/cm³
• LogP: 2.71300
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.9744848
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99%min ^*data from raw suppliers

4,6-DICHLORO-5-METHYLRESORCINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Resorcinol, 4,6-dichloro-5-methyl-

There total 12 articles about Resorcinol, 4,6-dichloro-5-methyl- 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: 90.0%

1,5-Bis-benzyloxy-2,4-dichloro-3-methyl-benzene (737800-17-8) → 4,6-dichloro-5-methylresorcinol (63992-61-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/j.tetlet.2004.05.063

Reference yield:

3,5-Dihydroxybenzoic acid (99-10-5) → 4,6-dichloro-5-methylresorcinol (63992-61-0)

Guidance literature:

Multi-step reaction with 6 steps

1: K₂CO₃ / dimethylformamide

2: LiAlH₄ / tetrahydrofuran

3: Et₃N / CH₂Cl₂ / 0 °C

4: LiAlH₄ / tetrahydrofuran / 60 °C

5: 88 percent / SO₂Cl / CHCl₃ / 0 °C

6: 90 percent / H₂ / Pd/C / ethyl acetate

With lithium aluminium tetrahydride; sulfuryl dichloride; hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2004.05.063

Reference yield:

3,5-dibenzyloxybenzoic acid (28917-43-3) → 4,6-dichloro-5-methylresorcinol (63992-61-0)

Guidance literature:

Multi-step reaction with 5 steps

1: LiAlH₄ / tetrahydrofuran

2: Et₃N / CH₂Cl₂ / 0 °C

3: LiAlH₄ / tetrahydrofuran / 60 °C

4: 88 percent / SO₂Cl / CHCl₃ / 0 °C

5: 90 percent / H₂ / Pd/C / ethyl acetate

With lithium aluminium tetrahydride; sulfuryl dichloride; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; chloroform; ethyl acetate;

DOI:10.1016/j.tetlet.2004.05.063

upstream raw materials:

3,5-dichloro-2,6-dihydroxy-4-methyl-benzoic acid

Geodoxin

(+/-)-Erdin

sulfuric acid

Downstream raw materials:

2,4-dichloro-1,5-dimethoxy-3-methylbenzene

4-{[2-benzyloxymethyl-6-methoxy-4-(methoxymethoxy)phenyl]hydroxymethyl}-3,5-bis(methoxymethoxy)-2,6-dichlorotoluene

2'-benzyloxymethyl-6'-methoxy-2,4',6-tris(methoxymethoxy)-3,5-dichloro-4-methylbenzophenone

methyl 2-[2,6-bis(methoxymethoxy)-3,5-dichloro-4-methylbenzoyl]-3-methoxy-5-(methoxymethoxy)benzoate

Refernces