2-Bromobenzyl bromide

Base Information

• Chemical Name: 2-Bromobenzyl bromide
• CAS No.: 3433-80-5
• Molecular Formula: C7H6Br2
• Molecular Weight: 249.933
• Hs Code.: 29036990
• European Community (EC) Number: 222-334-8
• DSSTox Substance ID: DTXSID0063022
• Nikkaji Number: J31.706C
• Wikidata: Q63059356
• Mol file: 3433-80-5.mol

Synonyms:2-Bromobenzyl bromide;3433-80-5;o-Bromobenzyl bromide;1-Bromo-2-(bromomethyl)benzene;2-bromobenzylbromide;alpha,2-Dibromotoluene;Benzene, 1-bromo-2-(bromomethyl)-;Benzene, bromo(bromomethyl)-;alpha-2-Dibromotoluene;EINECS 222-334-8;MFCD00000173;a,o-dibromotoluene;2-bromobenzylbromid;2-bromo-benzylbromide;2-bromo benzyl bromide;2-bromo-benzyl bromide;2-(bromo)benzyl bromide;1-bromo-2-bromomethylbenzene;1-bromomethyl-2-bromobenzene;2-Bromobenzyl bromide, 98%;SCHEMBL217088;1-Bromo-2-bromomethyl-benzene;1-(bromomethyl)-2-bromobenzene;DTXSID0063022;1-(bromo-methyl)-2-bromobenzene;1-Bromo-2-(bromomethyl)benzene #;STR01343;CK2016;STL301729;AKOS000121497;AM81631;AC-10759;CS-0019445;D1514;FT-0611538;EN300-17648;Q-200244;Z56969700;F0001-1001

Chemical Property of 2-Bromobenzyl bromide

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 0.0298mmHg at 25°C
• Melting Point: 29-32 °C(lit.)
• Refractive Index: n20/D 1.619(lit.)
• Boiling Point: 253 °C at 760 mmHg
• Flash Point: 118 °C
• PSA: 0.00000
• Density: 1.849 g/cm³
• LogP: 3.34400
• Storage Temp.: 0-6°C
• Solubility.: dioxane: soluble1g/10 mL, clear, colorless
• Water Solubility.: Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 249.88158
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

99% ^*data from raw suppliers

2-Bromobenzyl bromide 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T
• Hazard Codes: C,T
• Statements: 34-37-23
• Safety Statements: 26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC=C(C(=C1)CBr)Br
• Uses: 2-Bromobenzyl bromide was used in the synthesis of substituted quinazolines and 1,2,3,4-tetrahydroquinazolines, 2- and 3-substituted indenes, tris-2-bromotribenzylamine3. 2-Bromobenzyl bromide was used in the synthesis of:substituted quinazolines and 1,2,3,4-tetrahydroquinazolines2- and 3-substituted indenestris-2-bromotribenzylamine

Technology Process of 2-Bromobenzyl bromide

There total 21 articles about 2-Bromobenzyl bromide 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: 95.0%

o-bromobenzyl alcohol (18982-54-2) → 1-Bromo-2-bromomethyl-benzene (3433-80-5)

Guidance literature:

With 1H-imidazole; iodine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/op010094c

Reference yield: 95.0%

ortho-bromobenzaldehyde (6630-33-7) → 1-Bromo-2-bromomethyl-benzene (3433-80-5)

Guidance literature:

With polymethylhydrosiloxane; dimethylbromosulphonium bromide; In chloroform; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.07.125

Reference yield: 94.0%

2-methylphenyl bromide (95-46-5) → 1-Bromo-2-bromomethyl-benzene (3433-80-5)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 8.5h; Heating;

DOI:10.1021/jo990993n

upstream raw materials:

bromocyane

(2-bromo-benzyl)-(2-iodo-benzyl)-methyl-amine

2-methylphenyl bromide

benzyl bromide

Downstream raw materials:

N-(2-bromobenzyl)-pyridinium bromide

1,2-bis(2-bromophenyl)ethane

1-bromo-2-(phenoxymethyl)benzene

ortho-bromobenzaldehyde

Refernces

• 1、 Li, Ya-Wei,Zheng, Hong-Xing,Yang, Bo,Shan, Xiang-Huan,Qu, Jian-Ping,Kang, Yan-Biao. "tBuOK-Promoted Cyclization of Imines with Aryl Halides". supporting information. p. 4553 - 4556. Retrieved 2020/06/08.
• 2、 Sakyiamah, Maxwell M.,Kobayakawa, Takuya,Fujino, Masayuki,Konno, Makoto,Narumi, Tetsuo,Tanaka, Tomohiro,Nomura, Wataru,Yamamoto, Naoki,Murakami, Tsutomu,Tamamura, Hirokazu. "Design, synthesis and biological evaluation of low molecular weight CXCR4 ligands". supporting information. p. 1130 - 1138. Retrieved 2019/02/16.