3-(Bromomethyl)pentane

Base Information

• Chemical Name: 3-(Bromomethyl)pentane
• CAS No.: 3814-34-4
• Molecular Formula: C6H13Br
• Molecular Weight: 165.073
• Hs Code.: 29033990
• European Community (EC) Number: 223-302-6
• DSSTox Substance ID: DTXSID8063200
• Nikkaji Number: J143.941C
• Wikidata: Q72455417
• Mol file: 3814-34-4.mol

Synonyms:1-Bromo-2-ethylbutane;3-(Bromomethyl)pentane;3814-34-4;2-Ethylbutyl bromide;Pentane, 3-(bromomethyl)-;3-bromomethyl-pentane;Butane, 1-bromo-2-ethyl-;EINECS 223-302-6;2-ethylbutylbromide;3-bromomethylpentane;bromo-2-ethylbutane;2-Ethyl butyl bromide;2-ethyl-1-bromobutane;1-bromo-2-ethyl-butane;SCHEMBL77661;1-Bromo-2-ethylbutane, 97%;DTXSID8063200;KKGUMGWNFARLSL-UHFFFAOYSA-;MFCD00000219;AKOS009157025;B1905;CS-0132321;FT-0653160;D88873;EN300-141306;A824027;1-Bromo-2-ethylbutane (stabilized with Copper chip);J-802023

Chemical Property of 3-(Bromomethyl)pentane

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 6.54mmHg at 25°C
• Melting Point: -44.22°C (estimate)
• Refractive Index: 1.451-1.453
• Boiling Point: 144 °C at 760 mmHg
• Flash Point: 35.6 °C
• PSA: 0.00000
• Density: 1.169 g/cm³
• LogP: 2.81750
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 164.02006
• Heavy Atom Count: 7
• Complexity: 31.2

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-2-ethylbutane (stabilized with Copper chip) >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 36/37/38-10
• Safety Statements: 37/39-26-16-33-29

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)CBr
• Uses: 1-Bromo-2-ethylbutane can be involved in the synthesis of biologically active molecules. 1-Bromo-2-ethylbutane was used in the preparation of dialkoxytriarylamine. It was also used as cysteine-modifying reagent.

Technology Process of 3-(Bromomethyl)pentane

There total 3 articles about 3-(Bromomethyl)pentane 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: 77.0%

2-ethyl-1-butanol (97-95-0) → 2-ethyl-1-bromobutane (3814-34-4)

Guidance literature:

With phosphorus tribromide;

DOI:10.1016/S0040-4039(98)02554-4

Reference yield:

→ 2-ethyl-1-bromobutane (3814-34-4)

Guidance literature:

at 160 ℃; under 50 Torr;

Reference yield:

→ 2-ethyl-1-bromobutane (3814-34-4)

Guidance literature:

upstream raw materials:

2-ethyl-1-butanol

Downstream raw materials:

1-cyano-2-ethylbutane

2-ethyl-1-butene

2-ethyl-N-butylamine

3-ethyl-1-pentanol

Refernces

• 1、 Mori,Takechi,Shimizu,Kida,Iwakura,Hajima. "Convergent synthesis of S-8921, a new potent hypocholesterolemic arylnaphthalene lignan analog". . p. 1165 - 1168. Retrieved 2007/10/03.
• 2、 Albores, Martha,Bestmann, Hans Juergen,Doehla, Bodo,Hirsch, Hans-Ludwig,Roesel, Peter,Vostrowsky, Otto. "Pheromones, 89.- Wittig Syntheses of Alkyl-Branched and Cyclic Analogs of (Z)-5-Decenyl Acetate, the Sex Pheromone of Agrotis segetum (Lepitoptera: Noctuidae)". . p. 231 - 236. Retrieved 2007/10/02.