1-Bromopentane

Base Information

• Chemical Name: 1-Bromopentane
• CAS No.: 110-53-2
• Molecular Formula: C5H11Br
• Molecular Weight: 151.046
• Hs Code.: 29033036
• European Community (EC) Number: 203-776-0
• NSC Number: 7895
• UN Number: 1993
• UNII: Z2S4R599P0
• DSSTox Substance ID: DTXSID3049203
• Nikkaji Number: J1.976C
• Wikidata: Q19630814
• ChEMBL ID: CHEMBL155850
• Mol file: 110-53-2.mol

Synonyms:1-BPT cpd;1-bromopentane

Chemical Property of 1-Bromopentane

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 12.5mmHg at 25°C
• Melting Point: - 95 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 129.3 °C at 760 mmHg
• Flash Point: 31.1 °C
• PSA: 0.00000
• Density: 1.215 g/cm³
• LogP: 2.57150
• Storage Temp.: Flammables area
• Solubility.: H2O: insoluble
• Water Solubility.: practically insoluble
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 150.00441
• Heavy Atom Count: 6
• Complexity: 19.9

Purity/Quality:

99% ^*data from raw suppliers

1-Bromopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xi,F,N,Xn
• Statements: 10-36/37/38-51/53-22
• Safety Statements: 26-36-61-37/39-29-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCBr
• Uses: 1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase. 1-Bromopentane is used in a multitude of organic synthesis. It is used in iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling.

Technology Process of 1-Bromopentane

There total 33 articles about 1-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: 99.0%

bromopentene (1119-51-3) → 1-Bromopentane (110-53-2)

Guidance literature:

With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)₃(CH₂CH₂CH₃)]; hydrogen; In diethyl ether; at 25 ℃; for 18h; under 37503.8 Torr;

DOI:10.1021/acscatal.9b03963

Reference yield: 82.0%

pentan-1-ol (71-41-0) → 1-Bromopentane (110-53-2)

Guidance literature:

With t-butyl bromide; n-pentylmethylimidazolium bromide; for 2h; sonication;

DOI:10.1002/ejoc.200400597

Reference yield: 69.0%

1-Chloropentane (543-59-9) → 1-Bromopentane (110-53-2)

Guidance literature:

With bromide;

-(CH2)3-⁺PBu3; In water; at 110 ℃; for 100h;

DOI:10.1021/jo01302a035

upstream raw materials:

ascaridole

pentan-1-ol

1-methoxypentane

1-penten

Downstream raw materials:

diethyl-oct-2-ynyl-amine

(4-methoxyphenyl) (pentyl) sulfane

5,5-diethyl-1-pentyl-barbituric acid

tri-pentyl-amine

Refernces

• 1、 Hooz,Gilani. "". . p. 86. Retrieved 1968.
• 2、 Williams,Hamill. "-". . p. 1857. Retrieved 1950.
• 3、 Weber, Stefan,St?ger, Berthold,Veiros, Luis F.,Kirchner, Karl. "Rethinking Basic Concepts-Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes". . p. 9715 - 9720. Retrieved 2019/10/14.
• 4、 Sharma, Priti,Sasson, Yoel. "Facile continuous process for gas phase halogen exchange over supported alkyl phosphonium salts". . p. 2824 - 2828. Retrieved 2018/02/06.