3,4-Dichloro-5-hydroxyfuran-2(5H)-one

Base Information

• Chemical Name: 3,4-Dichloro-5-hydroxyfuran-2(5H)-one
• CAS No.: 766-40-5
• Deprecated CAS: 88405-86-1
• Molecular Formula: C4H2Cl2O3
• Molecular Weight: 168.964
• Hs Code.: 2932209090
• European Community (EC) Number: 212-166-3
• NSC Number: 179787
• DSSTox Substance ID: DTXSID20273936
• Nikkaji Number: J193.139C
• Wikidata: Q81977370
• ChEMBL ID: CHEMBL1173058
• Mol file: 766-40-5.mol

Synonyms:3,4-(dichloro)-5-hydroxy-2(5H)-furanone;3,4-dichloro-5-hydroxy-2(5H)-furanone;3,4-MA;MCA cpd

Chemical Property of 3,4-Dichloro-5-hydroxyfuran-2(5H)-one

Chemical Property:

• Vapor Pressure: 6.97E-07mmHg at 25°C
• Melting Point: 127 °C(Solv: water (7732-18-5))
• Refractive Index: 1.572
• Boiling Point: 367.2 °C at 760 mmHg
• PKA: 8.29±0.60(Predicted)
• Flash Point: 100 °C
• PSA: 46.53000
• Density: 1.79 g/cm³
• LogP: 0.55080
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.9380993
• Heavy Atom Count: 9
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichloro-5-hydroxyfuran-2(5H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(=C(C(=O)O1)Cl)Cl)O

Technology Process of 3,4-Dichloro-5-hydroxyfuran-2(5H)-one

There total 16 articles about 3,4-Dichloro-5-hydroxyfuran-2(5H)-one 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: 83.0%

3,4-dichloro-5-[(4-me thylphenyl)sulfanyl]-2(5H)-furanone → Mucochloric acid (766-40-5) + 3,4-dichloro-5-[(4-methyl phenyl)sulfonyl]-2(5H)-furanone (1610693-10-1) + toluene-4-sulfonic acid (104-15-4)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid; at 20 ℃; for 96h;

DOI:10.1134/S1070428014040149

Reference yield: 79.0%

C10H5BrCl2O2S (117869-21-3) → Mucochloric acid (766-40-5) + p-bromobenzene sulfonic acid (138-36-3) + 5-[(4-bromophenyl)sulfonyl]-3,4-dichloro-2(5H)-furanone (1610693-12-3)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid; at 20 ℃; for 96h;

DOI:10.1134/S1070428014040149

Reference yield: 66.7%

furfural (98-01-1) → Mucochloric acid (766-40-5)

Guidance literature:

furfural; With hydrogenchloride; manganese(IV) oxide; In water; for 1h; Reflux;

In water; at 20 ℃;

upstream raw materials:

furfural

3,4-dichlorofuran

2-furanoic acid

2,3,4,4-tetrachloro-cyclobut-2-en-1-one

Downstream raw materials:

4,5-dichloro-2-methyl-3(2H)-pyridazinone

2,3-Dichlor-4,4-bis(4-isopropylphenyl)-2-butensaeure

5-chloropyrimidine

7,8-Dichloro-3-phenyl-1,8a-dihydro-2H-pyrrolo[1,2-b][1,2,4,5]tetrazin-6-one

Refernces

• 1、 Latypova,Saigitbatalova, E. Sh.,Chulakova,Lodochnikova,Kurbangalieva,Berdnikov,Chmutova. "Sulfides, sulfones, and sulfoxides of the furan-2(5H)-one series. synthesis and structure". . p. 521 - 534. Retrieved 2014/06/10.
• 2、 Devyatova,Kurbangalieva,Yanilkin,Chmutova. "Electron transfer and subsequent reactions during electrochemical oxidation of aryl- and alkylthio derivatives of mucochloric acid". experimental part. p. 908 - 919. Retrieved 2010/10/03.