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1,5-Dibromo-3-methylpentane is an organic compound with the chemical formula C6H12Br2. It is a clear, colorless liquid at room temperature and is known for its unique chemical properties. 1,5-DIBROMO-3-METHYLPENTANE is primarily utilized in various industrial applications, including as a chemical reagent, pharmaceutical intermediate, and in pharmaceutical research.

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  • 4457-72-1 Structure
  • Basic information

    1. Product Name: 1,5-DIBROMO-3-METHYLPENTANE
    2. Synonyms: 1,5-DIBROMO-3-METHYLPENTANE;3-METHYL-1,5-DIBROMOPENTANE;1,5-Dibromo-3-methylpentane,98%;1,5-dibromo-3-methylenepentane
    3. CAS NO:4457-72-1
    4. Molecular Formula: C6H12Br2
    5. Molecular Weight: 243.97
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4457-72-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 233℃
    3. Flash Point: 101°(214°F)
    4. Appearance: Clear colourless liquid
    5. Density: 1.6
    6. Vapor Pressure: 0.0896mmHg at 25°C
    7. Refractive Index: 1.508-1.51
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. Water Solubility: Insoluble in water.
    11. CAS DataBase Reference: 1,5-DIBROMO-3-METHYLPENTANE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1,5-DIBROMO-3-METHYLPENTANE(4457-72-1)
    13. EPA Substance Registry System: 1,5-DIBROMO-3-METHYLPENTANE(4457-72-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 24/25
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4457-72-1(Hazardous Substances Data)

4457-72-1 Usage

Uses

1. Used in Chemical Synthesis:
1,5-Dibromo-3-methylpentane is used as a chemical reagent for the synthesis of various organic compounds. Its unique structure allows it to serve as a building block in the creation of complex molecules, making it a valuable asset in the field of organic chemistry.
2. Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1,5-dibromo-3-methylpentane is employed as a pharmaceutical intermediate. It plays a crucial role in the development and production of various drugs, contributing to the advancement of medical treatments and therapies.
3. Used in Pharmaceutical Research:
1,5-Dibromo-3-methylpentane is also utilized in pharmaceutical research, where it aids in the investigation of new drug candidates and the study of their properties. Its unique chemical structure makes it an interesting subject for researchers looking to develop novel therapeutic agents.
4. Used in Solvent Applications:
Due to its liquid state at room temperature, 1,5-dibromo-3-methylpentane can be used as a solvent in various chemical processes. Its ability to dissolve a wide range of substances makes it a versatile option for a variety of applications in the chemical and pharmaceutical industries.

Check Digit Verification of cas no

The CAS Registry Mumber 4457-72-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,5 and 7 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4457-72:
(6*4)+(5*4)+(4*5)+(3*7)+(2*7)+(1*2)=101
101 % 10 = 1
So 4457-72-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H12Br2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3

4457-72-1 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (B20521)  1,5-Dibromo-3-methylpentane, 98+%   

  • 4457-72-1

  • 5g

  • 723.0CNY

  • Detail
  • Alfa Aesar

  • (B20521)  1,5-Dibromo-3-methylpentane, 98+%   

  • 4457-72-1

  • 25g

  • 3005.0CNY

  • Detail

4457-72-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,5-DIBROMO-3-METHYLPENTANE

1.2 Other means of identification

Product number -
Other names 1,5-dibromo-3-methyl-pentane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4457-72-1 SDS

4457-72-1Relevant articles and documents

PHEROMONES OF INSECTS AND THEIR ANALOGS. XXIX. METHYL-BRANCHED PHEROMONES FROM 4-METHYLTETRAHYDROPYRAN. 4. SYNTHESIS OF (+/-)-15,19,23-TRIMETHYLHEPTATRIACONTANE - A PHEROMONE OF Glossina morsitans morsitans

Odinokov, V. N.,Ishmuratov, G. Yu.,Kharisov, R. Ya.,Yakovleva, M. P.,Tolstikov, G. A.

, p. 361 - 363 (1991)

Racemic 15,19,23-trimethylheptatriacontane (the sex pheromone of the tsetse fly Glossina morsitans morsitans) has been synthesized from 1,5-dibromo-3-methylpentane, a product of the acid hydrolysis of 4-methyltetrahydropyran.

Process intensification-assisted conversion of α,ω-alkanediols to dibromides

Mekala, Shekar,Hahn, Roger C.

supporting information, p. 630 - 632 (2015/03/03)

The increasingly widespread applications of α,ω-dibromides motivated development of a scalable, inexpensive process to rapidly convert selected α,ω-alkanediols to the corresponding dibromides. Diols were heated with only 48% aq HBr and an organic solvent, using a Dean-Stark apparatus modified to fractionate the azeotropic distillate, thereby maintaining a higher HBr concentration and reaction rate in the pot. Intensified distillation also increased the reaction rate. Various other substrate, solvent, and parameter effects have been discovered and rationalized.

Light-mediated deoxygenation of alcohols with a dimeric gold catalyst

McCallum, Terry,Slavko, Ekaterina,Morin, Mathieu,Barriault, Louis

supporting information, p. 81 - 85 (2015/02/18)

A new protocol for the reductive deoxygenation of primary alcohols was explored. This photo-mediated method combines a novel approach to bromination of alcohols merged with the powerful reducing capability of [Au2(dppm)2]Cl2 [dppm = 1,1-bis(diphenylphosphino)methane] as a photoredox catalyst. The highly efficient methods discussed are marked by the use of UVA light-emitting diodes, which have significantly reduced reaction times and lowered setup cost.

Double-headed sulfur-linked amino acids as first inhibitors for betaine-homocysteine S -methyltransferase 2

Mládková, Jana,Vaněk, Václav,Budě?ínsky, Milo?,Elbert, Tomá?,Demianová, Zuzana,Garrow, Timothy A.,Jirá?ek, Ji?í

experimental part, p. 6822 - 6831 (2012/10/07)

Betaine-homocysteine S-methyltransferase 2 (BHMT-2) catalyzes the transfer of a methyl group from S-methylmethionine to l-homocysteine, yielding two molecules of l-methionine. It is one of three homocysteine methyltransferases in mammals, but its overall contribution to homocysteine remethylation and sulfur amino acid homeostasis is not known. Moreover, recombinant BHMT-2 is highly unstable, which has slowed research on its structural and catalytic properties. In this study, we have prepared the first series of BHMT-2 inhibitors to be described, and we have tested them with human recombinant BHMT-2 that has been stabilized by copurification with human recombinant BHMT. Among the compounds synthesized, (2S,8RS,11RS)-5-thia-2,11-diamino-8-methyldodecanedioic acid (11) was the most potent (Kiapp ~77 nM) and selective inhibitor of BHMT-2. Compound 11 only weakly inhibited human BHMT (IC 50 about 77 μM). This compound (11) may be useful in future in vivo studies to probe the physiological significance of BHMT-2 in sulfur amino acid metabolism.

Synthesis and biological characterization of (Z)-9-heptadecenoic and (Z)-6-methyl-9-heptadecenoic acids: Fatty acids with antibiotic activity produced by Pseudozyma flocculosa

Avis,Boulanger,Belanger

, p. 987 - 1000 (2007/10/03)

Difficulties in isolating and purifying antibiotic fatty acids from culture filtrates of Pseudozyma flocculosa, a biocontrol agent against powdery mildew, have been limiting factors in studying the properties and understanding the mode of action of the biocontrol agent. We report a new protocol for synthesizing (Z)-9-heptadecenoic and for the first time synthesis of (Z)-6-methyl-9-heptadecenoic acids, two antibiotic fatty acids produced by P. flocculosa. This allowed reproducible and quantifiable means of assaying biological activity of the molecules. In these bioassays, both molecules exhibited antifungal activity corresponding to their expected potency. These new developments should facilitate further studies aimed at deciphering the ecological properties of P. flocculosa.

A Convenient Synthetic Route to Methylated Silacyclohexanes

Nguyen, Binh T.,Cartledge, Frank K.

, p. 2206 - 2210 (2007/10/02)

The von Braun degradation of substituted piperidines is a general and economical route to a variety of substituted primary and secondary α,ω-dibromopentanes.Grignard ring closure procedures have been carried out with seven different dibromopentanes in moderate to good yields.Ring closures with MeClSiCl2 lead to product mixtures which are appreciably enriched in one isomer, affording a convenient entry into a variety of derivatives which can be used for stereochemical studies.Assignment of structures based on 1H NMR and mass spectral fragmentation patterns is discussed

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