1-Bromo-3-propylbenzene

Base Information

• Chemical Name: 1-Bromo-3-propylbenzene
• CAS No.: 19829-32-4
• Molecular Formula: C9H11Br
• Molecular Weight: 199.09
• European Community (EC) Number: 826-597-5
• DSSTox Substance ID: DTXSID00550499
• Wikidata: Q82429892
• Mol file: 19829-32-4.mol

Synonyms:1-BROMO-3-PROPYLBENZENE;19829-32-4;Benzene, 1-bromo-3-propyl-;MFCD26622191;SCHEMBL1513555;DTXSID00550499;CXRVLYOHAQORCT-UHFFFAOYSA-N;AMY28206;AKOS023365010;AS-58894;SY146942;CS-0060101;EN300-122194;W17019;Z1541586975

Chemical Property of 1-Bromo-3-propylbenzene

Chemical Property:

• Boiling Point: 96-100 °C(Press: 17 Torr)
• PSA: 0.00000
• Density: 1.284±0.06 g/cm3(Predicted)
• LogP: 3.40160
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

97% ^*data from raw suppliers

1-bromo-3-propylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=CC=C1)Br

Technology Process of 1-Bromo-3-propylbenzene

There total 8 articles about 1-Bromo-3-propylbenzene 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: 97.0%

(+/-)-1-(3-bromophenyl)propanol (74157-47-4) → 1-bromo-3-propylbenzene (19829-32-4)

Guidance literature:

With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at -78 - 20 ℃; for 12h;

Reference yield: 86.0%

1-(3-bromophenyl)-1-propanone (19829-31-3) → 1-bromo-3-propylbenzene (19829-32-4)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In ethylene glycol; at 140 - 200 ℃; for 20h; Inert atmosphere;

Reference yield:

cis-3-bromo-β-methylstyrene (928837-84-7) + 1-(3-bromophenyl)-1-propanone (19829-31-3) → 1-bromo-3-propylbenzene (19829-32-4)

Guidance literature:

With triethylsilane; In trifluoroacetic acid;

upstream raw materials:

phenylpropane

β-methyl-3-bromostyrene

ethanol

m-bromobenzoic aldehyde

Downstream raw materials:

4,4,5,5-tetramethyl-2-(3-propylphenyl)-1,3,2-dioxaborolane

2-(((3-propylphenyl)(diphenyl)methyl)sulfanyl)ethanamine

diphenyl(3-propylphenyl)methanol

C₁₇H₁₉N₃