3,4-Dichlorothiophene 1,1-dioxide

Base Information

• Chemical Name: 3,4-Dichlorothiophene 1,1-dioxide
• CAS No.: 52819-14-4
• Molecular Formula: C4H2Cl2O2S
• Molecular Weight: 185.028480
• Hs Code.: 2934999090
• European Community (EC) Number: 679-739-1
• UNII: 327274TTBM
• DSSTox Substance ID: DTXSID90200799
• Nikkaji Number: J3.645.691D
• Wikidata: Q27256150
• Mol file: 52819-14-4.mol

Synonyms:3,4-Dichlorothiophene 1,1-dioxide;52819-14-4;Thiophene, 3,4-dichloro-, 1,1-dioxide;BRN 1281864;3,4-Dichlorothiophene1,1-dioxide;UNII-327274TTBM;327274TTBM;C4H2Cl2O2S;SCHEMBL2942319;C4-H2-Cl2-O2-S;DTXSID90200799;MFCD00187130;AKOS027325301;3,4-DICHLOROTHIOPHEN-1,1-DIOXIDE;LS-153070;CS-0322975;D3612;J3.645.691D;T71007;3,4-DICHLORO-1??-THIOPHENE-1,1-DIONE;Q27256150

Chemical Property of 3,4-Dichlorothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.0251mmHg at 25°C
• Melting Point: 113 °C
• Refractive Index: 1.603
• Boiling Point: 256.2 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 42.52000
• Density: 1.74 g/cm³
• LogP: 2.65600
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.9152559
• Heavy Atom Count: 9
• Complexity: 256

Purity/Quality:

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

3,4-Dichlorothiophene 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CS1(=O)=O)Cl)Cl

Technology Process of 3,4-Dichlorothiophene 1,1-dioxide

There total 1 articles about 3,4-Dichlorothiophene 1,1-dioxide 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:

→ 3,4-dichlorothiophene 1,1-dioxide (52819-14-4)

Guidance literature:

3,3,4,4-Tetrachlortetrahydro-thiophen-1,1-dioxid, MeOH, 29percentig.waesser.NH3-Lsg., 0.5h;

DOI:10.1021/jo01061a019

Reference yield: 77.0%

2,5-dimethylfuran (625-86-5) + 3,4-dichlorothiophene 1,1-dioxide (52819-14-4) → (4,5-dichloro-2-methylphenyl)-2-propanone (72541-74-3)

Guidance literature:

at 93 ℃; for 0.5h;

DOI:10.1021/jo01293a020

Reference yield: 65.0%

3,4-dichlorothiophene 1,1-dioxide (52819-14-4) + 1,3-dimethoxycarbonyl-4-(p-methylphenyl)-1,4-dihydropyridine (105619-14-5) → 6,7-dichloro-1,3-bis(methoxycarbonyl)-4-(p-methylphenyl)-1,4,4a,8a-tetrahydroquinoline (105619-22-5)

Guidance literature:

In toluene; Heating;

DOI:10.1021/jo00376a051

Downstream raw materials:

(4,5-dichloro-2-methylphenyl)-2-propanone

6,7-dichloro-1,3-bis(methoxycarbonyl)-4-(p-methylphenyl)-1,4,4a,8a-tetrahydroquinoline

6,7-dichloro-1,3-bis(methoxycarbonyl)-4-(1-methyl-2-oxo-2-phenylethyl)-1,4,4a,8a-tetrahydroquinoline

6,7-dichloro-1-(ethoxycarbonyl)-3-(methoxycarbonyl)-4-(2-oxo-2-phenylethyl)-1,4,4a,8a-tetrahydroquinoline