1-Bromo-3-methylbutane

Base Information

• Chemical Name: 1-Bromo-3-methylbutane
• CAS No.: 107-82-4
• Molecular Formula: C5H11Br
• Molecular Weight: 151.046
• Hs Code.: 29033036
• European Community (EC) Number: 203-522-9
• NSC Number: 9240
• UN Number: 2341
• UNII: CZM50594QA
• DSSTox Substance ID: DTXSID7059353
• Nikkaji Number: J5.063F
• Wikidata: Q8486033
• ChEMBL ID: CHEMBL158800
• Mol file: 107-82-4.mol

Synonyms:3-Methyl-1-bromobutane;3-Methylbutyl bromide;4-Bromo-2-methylbutane;Isoamylbromide;Isobutylmethyl bromide;Isopentyl bromide;NSC 9240;Isoamyl bromide;

Chemical Property of 1-Bromo-3-methylbutane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 20mmHg at 25°C
• Melting Point: -112 °C
• Refractive Index: n20/D 1.4409(lit.)
• Boiling Point: 118.3 °C at 760 mmHg
• Flash Point: 32.2 °C
• PSA: 0.00000
• Density: 1.261 g/cm³
• LogP: 2.42740
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• Solubility.: H2O: slightly soluble at 16.5°C (0.02g/100ml)
• Water Solubility.: 0.2 g/L (16 ºC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 150.00441
• Heavy Atom Count: 6
• Complexity: 25.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3-methylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,Xi
• Hazard Codes: Xn,N,Xi
• Statements: 10-22-37/38-52/53-51/53-36/37/38
• Safety Statements: 61-37/39-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CC(C)CCBr
• Uses: An alkyl halide and organic synthesis reagent. In organic synthesis. 1-Bromo-3-methylbutane was used in the synthesis of 1-(3-methylbutyl)pyrrole and in the production of pentyl peroxy radical by direct photolysis production method. It was also used as extraction solvent for determination of polycyclic aromatic hydrocarbons in water samples using liquid-liquid microextraction combined with gas chromatography-mass spectrometry. It is also used as an alkyl halide and organic synthesis reagent.

Technology Process of 1-Bromo-3-methylbutane

There total 19 articles about 1-Bromo-3-methylbutane 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: 56.0%

→ 3-Ethyl-3,11-dihydro-11-[(dimethylamino)propyl]-6H-pyrazolo-[1,5-a]pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidine-6-one (62348-93-0) + i-pentyl bromide (107-82-4)

Guidance literature:

Reference yield: 35.0%

→ i-pentyl bromide (107-82-4)

Guidance literature:

Reference yield:

methylbutane (78-78-4) → 1-bromo-2-methyl-butane (10422-35-2,99032-67-4,534-00-9,5973-11-5) + 2-bromo-2-methylbutane (507-36-8) + 3-bromo-2-methylbutane (18295-25-5,26561-37-5) + i-pentyl bromide (107-82-4)

Guidance literature:

With norborn-2-ene; N-bromobis(trimethylsilyl)amine; at 59.9 ℃; for 1.16667h; Mechanism; Product distribution; Irradiation; variation of temperature, time, reagent, initiation; further hydrocarbons;

upstream raw materials:

Acetyl bromide

1-ethoxy-3-methyl-butane

i-Amyl alcohol

2-bromo-2-methylbutane

Downstream raw materials:

N-isopentylpiperidine

2-(4-Methyl-1-thiapentyl)-thiophen

2-isopentylmercapto-4-(4-nitro-phenyl)-1⁽³⁾H-imidazole

isohexylbenzene

Refernces

• 1、 Peng, Zhongli,Lu, Caifeng,Xu, Minling. "Influence of substructures on the spreading ability and hydrolysis resistance of double-tail trisiloxane surfactants". . p. 75 - 81. Retrieved 2010.
• 2、 -. "Heterocyclic substituted 2-methyl-benzimidazole antiviral agents". . . Retrieved 2008/06/13.
• 3、 -. "Amido substituted naphthalene and intermediates thereof". . . Retrieved 2008/06/13.