3-Bromostyrene

Base Information

• Chemical Name: 3-Bromostyrene
• CAS No.: 2039-86-3
• Molecular Formula: C8H7Br
• Molecular Weight: 183.048
• Hs Code.: 29039990
• European Community (EC) Number: 218-025-2
• UNII: 6XE3SF241Y
• DSSTox Substance ID: DTXSID60174332
• Nikkaji Number: J7.857C
• Wikidata: Q27265672
• Mol file: 2039-86-3.mol

Synonyms:3-Bromostyrene;2039-86-3;1-Bromo-3-vinylbenzene;1-bromo-3-ethenylbenzene;m-Bromostyrene;Benzene, 1-bromo-3-ethenyl-;1-bromo-3-vinyl-benzene;UNII-6XE3SF241Y;6XE3SF241Y;EINECS 218-025-2;3-Bromo-styrene;Styrene, m-bromo-;MFCD00000088;3-VINYLBROMOBENZENE;1-Bromo-3-vinylbenzene #;3-BrC6H4CH=CH2;SCHEMBL50668;SCHEMBL13158913;DTXSID60174332;AMY40224;BBL101978;STL555775;3-bromostyrene (stabilized with tbc);AKOS009156768;CS-W015997;J7.857C;DS-16663;B1897;FT-0615255;EN300-60995;Q27265672;3-Bromostyrene stabilized with 100ppm 4-tert-Butylcatechol;3-Bromostyrene, 96.0%(GC), contains 0.1% TBC as stabilizer;3-Bromostyrene, 97%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor

Chemical Property of 3-Bromostyrene

Chemical Property:

• Appearance/Colour: Yellow liquid.
• Vapor Pressure: 0.116mmHg at 25°C
• Refractive Index: n20/D 1.591(lit.)
• Boiling Point: 227.6 °C at 760 mmHg
• Flash Point: 86.2 °C
• PSA: 0.00000
• Density: 1.391 g/cm³
• LogP: 3.09210
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.97311
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-3-vinylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CC1=CC(=CC=C1)Br
• Uses: 1-Bromo-3-vinylbenzene acts as a reagent in the synthesis of methylaminopropiophenones used as a muscle relaxant in rats.

Technology Process of 3-Bromostyrene

There total 28 articles about 3-Bromostyrene 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: 100.0%

m-bromobenzoic aldehyde (3132-99-8) + methyl-triphenylphosphonium iodide (2065-66-9) → 3-bromostyrene (2039-86-3,25584-47-8)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; water; at 100 ℃; for 12h; Inert atmosphere;

Reference yield: 90.0%

m-bromobenzoic aldehyde (3132-99-8) + Methyltriphenylphosphonium bromide (1779-49-3) → 3-bromostyrene (2039-86-3,25584-47-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In diethyl ether; at 20 ℃; for 0.25h; Inert atmosphere;

m-bromobenzoic aldehyde; In diethyl ether; at 0 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01446

Reference yield: 89.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + meta-bromobenzyl bromide (823-78-9) → 3-bromostyrene (2039-86-3,25584-47-8)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; triphenylphosphine; In acetonitrile; at 20 ℃; for 4h; Schlenk technique; Inert atmosphere; Irradiation;

upstream raw materials:

3-Bromocinnamic acid

2-(3-bromophenyl)ethan-1-ol

methanol

2,2,2-trifluoroethanol

Downstream raw materials:

1-bromo-3-ethylbenzene

2-(3-bromophenyl)-1,1-dichlorocyclopropane

(2S,3S)-2-(benzyloxy)-4-(3-ethenylphenyl)butan-3-ol

(R)-1-(3-bromophenyl)-1-(trichlorosilyl)ethane

Refernces

• 1、 Lin, Shanshan,Liu, Jianguo,Ma, Longlong,Sun, Jiangming. "In-situ facile synthesis novel N-doped thin graphene layer encapsulated Pd@N/C catalyst for semi-hydrogenation of alkynes". . . Retrieved 2021/12/03.
• 2、 Hussain, Muhammad Ijaz,Feng, Yangyang,Hu, Liangzhen,Deng, Qingfu,Zhang, Xiaohui,Xiong, Yan. "Copper-Catalyzed Oxidative Difunctionalization of Terminal Unactivated Alkenes". . p. 7852 - 7859. Retrieved 2018/05/30.