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494348

Sigma-Aldrich

1-Bromo-4-methylpentane

97%

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About This Item

Fórmula lineal:
(CH3)2CH(CH2)3Br
Número de CAS:
626-88-0
Peso molecular:
165.07
EC Number:
210-968-8
MDL number:
MFCD00013544
UNSPSC Code:
12352100
PubChem Substance ID:
24872894
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.446 (lit.)

bp

146 °C (lit.)

density

1.134 g/mL at 25 °C (lit.)

SMILES string

CC(C)CCCBr

InChI

1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3

InChI key

XZKFBZOAIGFZSU-UHFFFAOYSA-N

General description

1-Bromo-4-methylpentane can be synthesized by treating 4-methyl-1-pentanol with phosphorous tribromide. The conformational analysis of its liquid-state and solid-state IR and Raman spectra and showed the presence of a mixture of PC,PH, and P′H conformers.

Application

1-Bromo-4-methylpentane may be used in the synthesis of:
  • diethyl 2-(4′-methylpentyl)malonate
  • 1,3-bis(4-(isopentyloxy)phenyl)urea
  • 1,3-bis(4-(isopentyloxy)phenyl)thiourea
  • 13-methyl-1-[(tetrahydropyran-2-yl)oxy]tetradec-8-yne
  • 15-methyl-1-[(tetrahydropyran-2-yl)oxy]hexadec-10-yne
  • 3-[2-isohexyloxy-3-(hydroxymethyl]-5-phenyl-2-isohexyloxybenzyl alcohol

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

73.4 °F

flash_point_c

23 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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E Takano et al.
The Journal of biological chemistry, 275(15), 11010-11016 (2001-02-07)
Early stationary phase culture supernatants of Streptomyces coelicolor A3(2) contained at least four small diffusible signaling molecules that could elicit precocious antibiotic synthesis in the producing strain. The compounds were not detected in exponentially growing cultures. One of these compounds
Maria E Amato et al.
Molecules (Basel, Switzerland), 15(3), 1442-1452 (2010-03-26)
A novel chiral macrocyclic ligand incorporating a chiral salen moiety into a framework containing two biphenyl units was synthesized. Structural properties and conformational aspects of the free ligand and an UO2 complex were studied by using NMR spectroscopy in solution
Néstor M Carballeira et al.
Chemistry and physics of lipids, 145(1), 37-44 (2006-11-28)
The first total syntheses for the (Z)-15-methyl-10-hexadecenoic acid and the (Z)-13-methyl-8-tetradecenoic acid were accomplished in seven steps and in 31-32% overall yields. The (trimethylsilyl)acetylene was the key reagent in both syntheses. It is proposed that the best synthetic strategy towards
B Reiter et al.
Journal of chemical ecology, 29(10), 2235-2252 (2003-12-20)
Gas chromatography, coupled gas chromatography-mass spectrometry (electron impact mode and chemical ionization with methane as reactant gas), gas chromatography-infrared spectroscopy, and derivatization techniques were used to identity 53 compounds in the interdigital secretion of the red hartebeest, Alcelaphus buselaphus caama.
Vibrational analysis of alkyl bromides: Part III. Branched-chain bromides: 1-bromo-3-methylbutane and 1-bromo-4-methylpentane.
Crowder GA and Jalilian MR.
Journal of Molecular Structure, 42, 71-76 (1977)
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