(5-Bromopentyl)benzene

Base Information

• Chemical Name: (5-Bromopentyl)benzene
• CAS No.: 14469-83-1
• Molecular Formula: C11H15Br
• Molecular Weight: 227.144
• Hs Code.: 29039990
• European Community (EC) Number: 671-046-2
• NSC Number: 142558
• DSSTox Substance ID: DTXSID30301350
• Nikkaji Number: J122.341K
• Wikidata: Q72511111
• Mol file: 14469-83-1.mol

Synonyms:(5-Bromopentyl)benzene;14469-83-1;1-Bromo-5-phenylpentane;5-bromopentylbenzene;Benzene, (5-bromopentyl)-;5-Phenylpentyl bromide;1-bromo-5-phenyl-pentane;(5-bromo-n-pentyl)benzene;MFCD01075177;(5-bromo-pentyl)-benzene;(5-Bromopent-1-yl)benzene;phenylpentyl bromide;NSC142558;5-phenylpentylbromide;5-bromanylpentylbenzene;(5-bromo-pentyl)benzene;(5-bromopentyl)-benzene;5-phenyl-1-bromopentane;SCHEMBL79441;DTXSID30301350;(5-Bromopentyl)benzene, AldrichCPR;AKOS009158926;NSC-142558;s10028;AS-17385;CS-0186084;FT-0637086;P1323;EN300-674783;A808266

Chemical Property of (5-Bromopentyl)benzene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.00579mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 282.3 °C at 760 mmHg
• Flash Point: 150.5 °C
• PSA: 0.00000
• Density: 1.228 g/cm³
• LogP: 3.79430
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 226.03571
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

99% ^*data from raw suppliers

(5-Bromopentyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCBr

Technology Process of (5-Bromopentyl)benzene

There total 30 articles about (5-Bromopentyl)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: 98.0%

5-phenylpentan-1-ol (10521-91-2) → (5-bromopentyl)benzene (14469-83-1)

Guidance literature:

With allyl bromide; 1,1'-carbonyldiimidazole; In acetonitrile; for 1h; Heating;

Reference yield: 72.0%

6-bromohexanoic acid (4224-70-8) + diphenylzinc (1078-58-6) → (5-bromopentyl)benzene (14469-83-1)

Guidance literature:

6-bromohexanoic acid; With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; at 25 ℃; for 2h; Inert atmosphere;

diphenylzinc; With iron(III)-acetylacetonate; o-phenylenebis(diphenylphosphine); In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.6b07172

Reference yield: 52.0%

5-phenylpentan-1-ol (10521-91-2) + ethyl acetate (141-78-6) → (5-bromopentyl)benzene (14469-83-1) + Essigsaeure-(5-phenylpentyl)ester (75553-28-5)

Guidance literature:

With tetrabutylammomium bromide; ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; In dichloromethane; at 21 ℃; Inert atmosphere;

DOI:10.1021/ol302496q

upstream raw materials:

5-phenylpentan-1-ol

Essigsaeure-(5-phenylpentyl)ester

1,5-dibromo-pentane

benzonitrile

Downstream raw materials:

acetic acid-[4-(5-phenyl-pentyloxy)-anilide]

1-(5-bromo-pentyl)-4-nitro-benzene

bis-(5-phenyl-pentyl)-disulfide

[5-(2,4-dinitro-phenyl)-pentyl]-(4-nitro-phenyl)-ether