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

Base Information

• Chemical Name: 3-(3,5-Difluorophenyl)-1-propene
• CAS No.: 79538-22-0
• Molecular Formula: C₉H₈F₂
• Molecular Weight: 154.159
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90374287
• Nikkaji Number: J1.246.771K
• Wikidata: Q82162818
• Mol file: 79538-22-0.mol

Synonyms:3-(3,5-Difluorophenyl)-1-propene;79538-22-0;1,3-difluoro-5-prop-2-enylbenzene;allyl-3,5-difluorobenzene;1-allyl-3,5-difluorobenzene;1,3-Difluoro-5-allylbenzene;SCHEMBL1902408;DTXSID90374287;CQPIMIJDRWLFGV-UHFFFAOYSA-N;MFCD06201187;AKOS006345232;1,3-difluoro-5-(prop-2-en-1-yl)benzene;FT-0690960;EN300-698377

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

Chemical Property:

• Vapor Pressure: 5mmHg at 25°C
• Boiling Point: 40oC 3,4mm
• Flash Point: 33.5oC
• PSA: 0.00000
• Density: 1.083g/cm3
• LogP: 2.69330
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.05940658
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99%+ ^*data from raw suppliers

3-(3,5-DIFLUOROPHENYL)-1-PROPENE ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 3-(3,5-Difluorophenyl)-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: 73.0%

3,5-difluorobromobenzene (461-96-1) + allyl bromide (106-95-6) → 1-allyl-3,5-difluorobenzene (79538-22-0)

Guidance literature:

3,5-difluorobromobenzene; With magnesium; In diethyl ether;

allyl bromide; In diethyl ether; for 2.5h; Reflux;

DOI:10.1080/15421406.2011.570136

Reference yield:

3,5-difluorophenylmagnesium bromide (62351-47-7) + allyl bromide (106-95-6) → 1-allyl-3,5-difluorobenzene (79538-22-0)

Guidance literature:

DOI:10.1016/j.bmcl.2004.01.102

Reference yield: 90.0%

1-allyl-3,5-difluorobenzene (79538-22-0) → 1-propyl-3,5-difluorobenzene (183245-00-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen;

DOI:10.1080/15421406.2011.570136

upstream raw materials:

3,5-difluorophenylmagnesium bromide

allyl bromide

3,5-difluorobromobenzene

Downstream raw materials:

3-(3,5-difluorophenyl)propan-1-ol

(3Z,11Z,16Z)-(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-Bis-(tert-butyl-dimethyl-silanyloxy)-19-(3,5-difluoro-phenyl)-5,7,9,11,13,15-hexamethyl-nonadeca-1,3,11,16-tetraen-6-ol

1-(3,4-difluorophenyl)-4-(2,6-difluoro-4-propylphenyl)bicyclo[2.2.2]octane

1-propyl-3,5-difluorobenzene

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