3-(3,5-Dichlorophenyl)-1-propene

Base Information

• Chemical Name: 3-(3,5-Dichlorophenyl)-1-propene
• CAS No.: 75894-91-6
• Molecular Formula: C9H8 Cl2
• Molecular Weight: 187.069
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID40374217
• Nikkaji Number: J1.799.032B
• Wikidata: Q82162731
• Mol file: 75894-91-6.mol

Synonyms:3-(3,5-Dichlorophenyl)-1-propene;75894-91-6;1,3-dichloro-5-prop-2-enylbenzene;1-allyl-3,5-dichlorobenzene;1,3-DICHLORO-5-(PROP-2-EN-1-YL)BENZENE;SCHEMBL4083756;DTXSID40374217;MFCD06201185;AKOS006346039;EN300-698335;A838543

Chemical Property of 3-(3,5-Dichlorophenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.108mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 228.9°C at 760 mmHg
• Flash Point: 86.2°C
• PSA: 0.00000
• Density: 1.185g/cm³
• LogP: 3.72190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 186.0003056
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99%min ^*data from raw suppliers

3-(3,5-Dichlorophenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC(=CC(=C1)Cl)Cl

Technology Process of 3-(3,5-Dichlorophenyl)-1-propene

There total 3 articles about 3-(3,5-Dichlorophenyl)-1-propene 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: 49.0%

allyl bromide (106-95-6) + 3,5-Dichloroaniline (626-43-7) → 1-bromo-3,5-dichlorobenzene (19752-55-7) + 2,5-dibromo-1,4-dichlorobenzene (4571-24-8) + allyl-3,5-dichlorobenzene (75894-91-6) + 4-bromo-3,5-dichloroallylbenzene

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 12 - 22 ℃; for 1.33h;

DOI:10.1021/jo0258103

Reference yield: 48.0%

→ allyl-3,5-dichlorobenzene (75894-91-6)

Guidance literature:

Reference yield:

allyl bromide (106-95-6) + 3,5-Dichloroaniline (626-43-7) → allyl-3,5-dichlorobenzene (75894-91-6)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 30 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c6cc05128f

upstream raw materials:

allyl bromide

3,5-Dichloroaniline

Refernces

• 1、 Ek, Fredrik,Axelsson, Oskar,Wistrand, Lars-Goeran,Frejd, Torbjoern. "Aromatic allylation via diazotization: Metal-free C-C bond formation". . p. 6376 - 6381. Retrieved 2007/10/03.