4-Chlororesorcinol

Base Information

• Chemical Name: 4-Chlororesorcinol
• CAS No.: 95-88-5
• Molecular Formula: C6H5ClO2
• Molecular Weight: 144.558
• Hs Code.: 29081000
• European Community (EC) Number: 202-462-0
• NSC Number: 6298,1569
• UNII: 87045U29QJ
• DSSTox Substance ID: DTXSID8052643
• Nikkaji Number: J54.290C
• Wikidata: Q27269773
• Mol file: 95-88-5.mol

Synonyms:4-Chlororesorcinol;95-88-5;4-chlorobenzene-1,3-diol;p-Chlororesorcinol;1,3-Benzenediol, 4-chloro-;4-Chlororesorcin;6-Chlororesorcinol;Resorcinol, 4-chloro-;4-Chloro-1,3-dihydroxybenzene;2,4-Dihydroxychlorobenzene;4-Chloro-1,3-benzenediol;C.I. 76510;MFCD00002273;CI 76510;NSC 1569;EINECS 202-462-0;BRN 2042864;AI3-03873;1-Chloro-2,4-dihydroxybenzene;UNII-87045U29QJ;NSC-1569;NSC-6298;87045U29QJ;WLN: QR CQ DG;4-Chlorobenzene-1,3-diol (4-Chlororesorcinol);1,3-Dihydroxy-4-chlorobenzene;4-chlororesorcine;4-chlorresorcinol;4- chlororesorcinol;4-chloro resorcinol;RODOL CRS;COVASTYLE LP-4CLR;2 4-Dihydroxychlorobenzene;4-Chlororesorcinol, 98%;4-Chloro-1 3-benzenediol;SCHEMBL33883;4-Chloro-benzene-1,3-diol;1,3-bencenodiol, 4-cloro-;1-Chloro-2 4-dihydroxybenzene;4-Chloro-1 3-dihydroxybenzene;DTXSID8052643;NSC1569;NSC6298;4-CHLORORESORCINOL [INCI];NSC 6298;AKOS000121522;CS-W016374;Resorcinol 4-chloro-(6CI 7CI 8CI);AS-12812;BP-11746;CI-76510;SY026641;LS-143388;FT-0618263;FT-0664975;EN300-21163;F19551;Q-200460;Q27269773;F0001-2284;Z104493216;[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium

Chemical Property of 4-Chlororesorcinol

Chemical Property:

• Appearance/Colour: White till light pink powder
• Vapor Pressure: 0.16Pa at 25℃
• Melting Point: 106-108 °C(lit.)
• Refractive Index: 1.4620 (estimate)
• Boiling Point: 259 °C at 760 mmHg
• PKA: 8.28±0.10(Predicted)
• Flash Point: 121.6 °C
• PSA: 40.46000
• Density: 1.471 g/cm³
• LogP: 1.75120
• Storage Temp.: 2-8°C
• Solubility.: >1000g/l
• Water Solubility.: soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.9978071
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

4-Chlororesorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: C1=CC(=C(C=C1O)O)Cl
• Uses: 4-Chlororesorcinol, can be used as hair dye formulation. It can also be used in the synthesis of series of six coumarin compounds carrying halogen and trifluoromethyl, having antifungal activities.

Technology Process of 4-Chlororesorcinol

There total 21 articles about 4-Chlororesorcinol 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%

recorcinol (108-46-3) → 4-Chlororesorcinol (95-88-5)

Guidance literature:

With sulfuryl dichloride;

Reference yield: 87.7%

1,3-O-di-propanoyl-4-chlororesorcinol → 3-O-propanoyl-4-chlororesorcinol + 4-Chlororesorcinol (95-88-5)

Guidance literature:

With isopropyl alcohol; Candida antarctica lipase B; immobilized; In di-isopropyl ether; at 45 ℃; for 0.25h; Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.09.104

Reference yield: 87.0%

3-acetoxy-cyclohex-2-enone (57918-73-7) → 4-Chlororesorcinol (95-88-5)

Guidance literature:

3-acetoxy-cyclohex-2-enone; With lithium hexamethyldisilazane; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h; Inert atmosphere;

With p-toluenesulfonyl chloride; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h; Inert atmosphere;

With lithium hexamethyldisilazane; In tetrahydrofuran; pentane; at -78 - 22 ℃; for 0.333333h; Solvent; Reagent/catalyst; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2016.02.006

upstream raw materials:

4-chloro-1,3-phenylenediamine

3-chloro-2,6-dihydroxy-benzoic acid

5-chloro-2,4-dihydroxy-benzoic acid

N,N-dichlorourea

Downstream raw materials:

6-chloro-7-hydroxy-3,4-dimethyl-2H-chromen-2-one

1,2,4-trihydroxy-9,10-anthraquinone

2',7'-dichlorofluorescein

1-chloro-2,4-bis-trimethylsilanyloxy-benzene

Refernces

Copper(I)-catalyzed intramolecular C_aryl-O bond-forming cyclization for the synthesis of 1,4-benzodioxines and its application in the total synthesis of sweetening isovanillins

10.1055/s-0030-1258206

The study presents a copper(I)-catalyzed intramolecular C-O bond-forming cyclization approach for the synthesis of various substituted 1,4-benzodioxines, utilizing a BINOL-CuI complex as a catalyst. This method was effectively applied to the total synthesis of isovanillyl sweetening agents, specifically 5-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-methoxyphenol and 5-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methoxyphenol, which are known to be significantly sweeter than sucrose. The process involves a five-step synthesis from isovanillin, yielding the sweetening agents in 15.8% and 14.85% overall yields, respectively. The research also explores the scope and limitations of the method, discussing the impact of different ligands, copper salts, solvents, and bases on the reaction efficiency. The study further proposes a possible mechanism for the Ullmann-type intramolecular C-O coupling cyclization reaction and provides detailed experimental procedures, characterization data, and spectral information for the synthesized compounds.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 95-88-5 4-Chlororesorcinol

Send

Send

Metric Ton KG G Pound L ML

Send

Send