3,4-Dichlorostyrene

Base Information

• Chemical Name: 3,4-Dichlorostyrene
• CAS No.: 2039-83-0
• Molecular Formula: C8H6Cl2
• Molecular Weight: 173.042
• Hs Code.: 2903999090
• European Community (EC) Number: 218-023-1
• DSSTox Substance ID: DTXSID00174331
• Nikkaji Number: J7.856E
• Wikidata: Q83044402
• Mol file: 2039-83-0.mol

Synonyms:3,4-Dichlorostyrene;2039-83-0;1,2-Dichloro-4-vinylbenzene;1,2-dichloro-4-ethenylbenzene;3,4-dichloro-styrene;Benzene, 1,2-dichloro-4-ethenyl-;EINECS 218-023-1;MFCD00013625;3,4-dichlorophenylethylene;3,4-Dichlorostyrol;SCHEMBL14890;SCHEMBL12112958;1,2-Dichloro-4-vinylbenzene #;DTXSID00174331;AMY18778;AKOS006283294;DS-13673;SY039081;CS-0140500;FT-0614262;EN300-177632

Chemical Property of 3,4-Dichlorostyrene

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.0638mmHg at 25°C
• Melting Point: 48.5°C (estimate)
• Refractive Index: 1.589
• Boiling Point: 238.9 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 0.00000
• Density: 1.242 g/cm³
• LogP: 3.63640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 171.9846556
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98% or more ^*data from raw suppliers

3,4-Dichlorostyrene 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CC(=C(C=C1)Cl)Cl

Technology Process of 3,4-Dichlorostyrene

There total 16 articles about 3,4-Dichlorostyrene 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: 82.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 3,4-dichlorobenzaldehyde (6287-38-3) → 3,4-dichlorostyrene (2039-83-0)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 110 ℃; for 10h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00898

Reference yield: 77.0%

methylphenylsulfonate (3112-85-4) + 3,4-dichlorobenzyl alcohol (1805-32-9) → 3,4-dichlorostyrene (2039-83-0)

Guidance literature:

With sodium hydride; In mineral oil; at 135 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5cc01965f

Reference yield: 68.0%

1-(3,4-dichlorophenyl)ethan-1-ol (1475-11-2) → 3,4-dichlorostyrene (2039-83-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 4h;

DOI:10.1021/jm970326r

upstream raw materials:

C₆H₄NCH₂CHCCH₂

3,4-Dichlorocinnamic acid

1-acetoxy-1-(3,4-dichloro-phenyl)-ethane

Trifluoro-acetic acid 1-(3,4-dichloro-phenyl)-2-trimethylsilanyl-ethyl ester

Downstream raw materials:

1-trans-β-3,4-dichlorostyrenesulphonyl chloride

2-((3R,8S)-3-(3,4-dichlorophenyl)-2,3,7,8-tetrahydrobenzofuro[5,6-b][1,4]dioxin-8-yl)acetic acid

2-((3S,8S)-3-(3,4-dichlorophenyl)-2,3,7,8-tetrahydrobenzofuro[5,6-b][1,4]dioxin-8-yl)acetic acid

N-ethyl-N-<2-(benzothien-3-yl)ethyl>-N-<2-hydroxy-2-(3,4-dichlorophenyl)ethyl>amine

Refernces

• 1、 Bachman et al.. "-". . p. 108,117. Retrieved 1947.
• 2、 Song, Di,Bi, Fangchao,Zhang, Nan,Qin, Yinhui,Liu, Xingbang,Teng, Yuetai,Ma, Shutao. "Design, synthesis of novel 4,5-dihydroisoxazole-containing benzamide derivatives as highly potent FtsZ inhibitors capable of killing a variety of MDR Staphylococcus aureus". supporting information. . Retrieved 2020/09/11.
• 3、 Yao, Chuan-Zhi,Li, Qiang-Qiang,Wang, Mei-Mei,Ning, Xiao-Shan,Kang, Yan-Biao. "(E)-Specific direct Julia-olefination of aryl alcohols without extra reducing agents promoted by bases". supporting information. p. 7729 - 7732. Retrieved 2015/05/12.