1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene

Base Information

• Chemical Name: 1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene
• CAS No.: 159276-58-1
• Molecular Formula: C9H7BrF2
• Molecular Weight: 233.05300
• European Community (EC) Number: 852-214-6
• DSSTox Substance ID: DTXSID00473174
• Wikidata: Q82302375
• Mol file: 159276-58-1.mol

Synonyms:159276-58-1;1-[1-(BROMOMETHYL)ETHENYL]-2,4-DIFLUORO-BENZENE;1-(3-Bromoprop-1-en-2-yl)-2,4-difluorobenzene;Benzene, 1-[1-(bromomethyl)ethenyl]-2,4-difluoro-;DTXSID00473174;AKOS030255273;FT-0663783;1-(1-(Bromomethyl)ethenyl)-2,4-Difluorobenzene;EN300-1896254;J-009587

Chemical Property of 1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene

Chemical Property:

• Boiling Point: 223.7±30.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.485±0.06 g/cm3(Predicted)
• LogP: 3.37290
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.96992
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98.5% ^*data from raw suppliers

1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CBr)C1=C(C=C(C=C1)F)F

Technology Process of 1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene

There total 1 articles about 1-[1-(Bromomethyl)ethenyl]-2,4-difluoro-benzene 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: 90.0%

2-(2,4-difluorophenyl)allyl alcohol (141113-36-2) → 1-(1-Bromomethyl-vinyl)-2,4-difluoro-benzene (159276-58-1)

Guidance literature:

With phosphorus tribromide;

DOI:10.1080/00397911.2014.929147

Reference yield:

1,2,4-Triazole (288-88-0) + 1-(1-Bromomethyl-vinyl)-2,4-difluoro-benzene (159276-58-1) → 1-(2-(2,4-difluorophenyl)allyl)-1H-1,2,4-triazole (156570-15-9)

Guidance literature:

1,2,4-Triazole; With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃;

1-(1-Bromomethyl-vinyl)-2,4-difluoro-benzene; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield:

1-(1-Bromomethyl-vinyl)-2,4-difluoro-benzene (159276-58-1) → (R)-4-(2,4-Difluoro-phenyl)-2-hydroxymethyl-5-[1,2,4]triazol-1-yl-pentane-1,4-diol (149809-38-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium tert-butylate / N,N-dimethyl-formamide / 20 °C

1.2: 1 h / 20 °C

2.1: C₂₈H₁₉O₂^(1-)*Fe⁽¹⁺⁾ / dichloromethane / 50 - 60 °C

3.1: sodium hydride / methanol; tetrahydrofuran / 1 h / 20 °C

3.2: Reflux

4.1: sodium tetrahydroborate; bromine / methanol; tetrahydrofuran / 1 h / 20 - 60 °C

With sodium tetrahydroborate; potassium tert-butylate; bromine; C₂₈H₁₉O₂^(1-)*Fe⁽¹⁺⁾; sodium hydride; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-(2,4-difluorophenyl)allyl alcohol

Downstream raw materials:

2-[2-(2,4-difluorophenyl)-2-propene-1-yl]-1, 3-propanediol

(R)-4-(2,4-Difluoro-phenyl)-2-hydroxymethyl-5-[1,2,4]triazol-1-yl-pentane-1,4-diol

(2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran

1-(2-(2,4-difluorophenyl)allyl)-1H-1,2,4-triazole