3-Bromopentane

Base Information

• Chemical Name: 3-Bromopentane
• CAS No.: 1809-10-5
• Molecular Formula: C5H11Br
• Molecular Weight: 151.046
• Hs Code.: 29033990
• European Community (EC) Number: 217-314-0
• DSSTox Substance ID: DTXSID2061987
• Nikkaji Number: J97.466H
• Wikidata: Q72448953
• Mol file: 1809-10-5.mol

Synonyms:3-BROMOPENTANE;1809-10-5;Pentane, 3-bromo-;3-Pentyl bromide;3-bromo-pentane;EINECS 217-314-0;MFCD00000158;3-pentylbromide;3-BROMO PENTANE;3-Bromopentane, 95%;SCHEMBL82624;DTXSID2061987;AKOS009031588;AS-49360;SY050135;B4340;CS-0015742;FT-0615234;EN300-19651;H11324;W-109032;F8881-0572

Chemical Property of 3-Bromopentane

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 20mmHg at 25°C
• Melting Point: -126.2°C
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 118.3 °C at 760 mmHg
• Flash Point: 31.3 °C
• PSA: 0.00000
• Density: 1.211 g/cm³
• LogP: 2.56990
• Storage Temp.: Flammables area
• Solubility.: Miscible with ethanol, ether, benzene and chloroform.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 150.00441
• Heavy Atom Count: 6
• Complexity: 23.1

Purity/Quality:

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

3-Bromopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CC)Br
• Uses: 3-Bromopentane is a glass forming liquid used in the preparation of 2-(1-ethyl-propoxy)-isoindole-1,3-dione. Further, it is employed in organic synthesis.

Technology Process of 3-Bromopentane

There total 33 articles about 3-Bromopentane 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: 75.0%

2-pentanol (584-02-1) → 3-bromopentane (1809-10-5)

Guidance literature:

With N-Bromosuccinimide; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 70 ℃; for 2h;

DOI:10.1080/00304948.2013.786585

Reference yield:

(S)-2-pentanol (26184-62-3) → 2-bromopentane (107-81-3) + 3-bromopentane (1809-10-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01136a027

Reference yield:

2-pentanol (584-02-1) → 2-bromopentane (107-81-3) + 3-bromopentane (1809-10-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01136a027

upstream raw materials:

(S)-2-pentanol

2-pentanol

3-pentyl iodide

ethylcyclopropane

Downstream raw materials:

[(1-ethylpropyl)thio]benzene

Diethyl (1-ethylpropyl)malonate

diethyl (1-methylbutyl)malonate

Ethyl-(1-ethyl-propyl)-malonsaeure-diethylester

Refernces

• 1、 Hudson,Ragoonanan. "". . p. 1755,1758. Retrieved 1970.
• 2、 Dupuy, Stéphanie,Zhang, Ke-Feng,Goutierre, Anne-Sophie,Baudoin, Olivier. "Terminal-Selective Functionalization of Alkyl Chains by Regioconvergent Cross-Coupling". supporting information. p. 14793 - 14797. Retrieved 2016/11/23.
• 3、 Li, Yujin,Ju, Jie,Jia, Jianhong,Sheng, Weijian,Han, Liang,Gao, Jianrong. "Highly efficient oxidative bromination of alkanes with the HBr-H 2O2 system in the presence of catalyst". experimental part. p. 2428 - 2432. Retrieved 2011/10/03.