(2-Bromopropyl)benzene

Base Information

• Chemical Name: (2-Bromopropyl)benzene
• CAS No.: 2114-39-8
• Molecular Formula: C9H11 Br
• Molecular Weight: 199.09
• Hs Code.: 2903999090
• European Community (EC) Number: 218-315-9
• DSSTox Substance ID: DTXSID60943464
• Nikkaji Number: J298.706F
• Mol file: 2114-39-8.mol

Synonyms:2-Bromo-1-phenylpropane;(2-Bromopropyl)benzene;2114-39-8;2-bromopropylbenzene;Benzene, (2-bromopropyl)-;1-Phenyl-2-bromopropane;(2-bromo-propyl)-benzene;EINECS 218-315-9;(2-bromopropyl)-benzene;1-(2-bromopropyl)benzene;SCHEMBL873579;2-Bromo-1-phenylpropane, 96%;NVYOCAOZCSNIHR-UHFFFAOYSA-;DTXSID60943464;.+/-.-2-Bromo-1-phenylpropane;AMY11172;CAA11439;MFCD00000149;AKOS009158006;AS-58484;BP-21460;BP-30053;B2290;CS-0204904;FT-0611385;EN300-1861474;A815165;J-500675

Chemical Property of (2-Bromopropyl)benzene

Chemical Property:

• Appearance/Colour: clear colorless to light brown liquid
• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: -10°C (estimate)
• Refractive Index: n20/D 1.545(lit.)
• Boiling Point: 228°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 0.00000
• Density: 1.307g/cm³
• LogP: 3.01250
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

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

2-Bromo-1-phenylpropane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)Br

Technology Process of (2-Bromopropyl)benzene

There total 29 articles about (2-Bromopropyl)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: 96.0%

1-phenyl-2-propyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate (866942-23-6) → (2-bromopropyl)-benzene (2114-39-8)

Guidance literature:

With lithium bromide; In acetone; for 2h;

DOI:10.1021/jo051241y

Reference yield: 95.0%

(±)-1-phenylpropanyl-2-yl methansulfonate (61380-47-0) → 1-phenylpropene (637-50-3) + (2-bromopropyl)-benzene (2114-39-8)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; at 90 ℃; for 1h; Concentration; Temperature; Time; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 95.0%

1-propenylbenzene (873-66-5) → (2-bromopropyl)-benzene (2114-39-8)

Guidance literature:

With trimethylsilyl bromide; iron(II) bromide; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.orglett.1c02186

upstream raw materials:

allylbenzene

3-phenyl-2-propanol

1-phenyl-2-propyl-4-toluenesulfonate

allyl bromide

Downstream raw materials:

N-(1-Methyl-2-phenyl-ethoxy)-carbaminsaeure-ethylester

1-propenylbenzene

(1-phenylprop-2-yl)diphenylphosphane

3-methyl-4-phenyl-2-(pyridin-3-yl)butyronitrile

Refernces

• 1、 Li, Run,Gehrig, Dominik W.,Ramanan, Charusheela,Blom, Paul W. M.,Kohl, Fabien F.,Wagner, Manfred,Landfester, Katharina,Zhang, Kai A. I.. "Visible Light-Mediated Conversion of Alcohols to Bromides by a Benzothiadiazole-Containing Organic Photocatalyst". . p. 3852 - 3859. Retrieved 2019/07/15.
• 2、 Burckle, Alexander J.,Gál, Bálint,Seidl, Frederick J.,Vasilev, Vasil H.,Burns, Noah Z.. "Enantiospecific Solvolytic Functionalization of Bromochlorides". supporting information. p. 13562 - 13569. Retrieved 2017/10/05.