1-Bromo-2-methylpropane

Base Information

• Chemical Name: 1-Bromo-2-methylpropane
• CAS No.: 78-77-3
• Molecular Formula: C4H9Br
• Molecular Weight: 137.019
• Hs Code.: 29033036
• European Community (EC) Number: 201-141-2
• NSC Number: 8416
• UN Number: 2342
• UNII: 5OEC0BW987
• DSSTox Substance ID: DTXSID1052539
• Nikkaji Number: J1.482F
• Wikidata: Q15632844
• ChEMBL ID: CHEMBL346532
• Mol file: 78-77-3.mol

Synonyms:1-Bromo-2-methylpropane;78-77-3;ISOBUTYL BROMIDE;Propane, 1-bromo-2-methyl-;iso-Butyl bromide;1-Bromo-2-methyl-propane;Bromoisobutane;i-Butyl bromide;CCRIS 349;2-methylpropyl bromide;NSC 8416;EINECS 201-141-2;UNII-5OEC0BW987;Bromoacetaldehydedimethylacetal;AI3-18130;5OEC0BW987;DTXSID1052539;NSC-8416;MFCD00000217;EC 201-141-2;344299-42-9;isobutylbromid;isobutylbromide;i-butylbromide;iso-butylbromide;isobutyl-bromide;i-BuBr;2-methylbromopropane;2-methylpropylbromide;iso-C4H9Br;2-methyl bromopropane;1-brom-2-methylpropan;1-bromo-2methylpropane;1-bromo-2-methylpropan;l-bromo-2-methylpropane;3-bromo-2-methylpropane;1 -bromo-2-methylpropane;1-bromo 2-methyl propane;1-bromo-2-methyl propane;SCHEMBL7399;Propano, 1-bromo-2-metil-;ISOBUTYL BROMIDE [MI];2-Bromo-1,1-Dimethyl Ethane;CHEMBL346532;DTXCID2031112;1-Bromo-2-methylpropane, 99%;WLN: E1Y1&1;NSC8416;AMY25783;BCP21482;Tox21_303878;BBL036259;STL264117;AKOS000118762;PB48146;UN 2342;CAS-78-77-3;NCGC00357138-01;VS-13394;LS-119649;A9430;B0616;FT-0607463;EN300-19287;P19652;J-504405;Q15632844;F1908-0100

Chemical Property of 1-Bromo-2-methylpropane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 41 hPa (20 °C)
• Melting Point: -119 °C
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 90.7 °C at 760 mmHg
• Flash Point: 18.3 °C
• PSA: 0.00000
• Density: 1.26 g/cm³
• LogP: 2.03730
• Storage Temp.: Flammables area
• Solubility.: 0.51g/l slightly soluble
• Water Solubility.: 0.51 g/L (18 ºC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 135.98876
• Heavy Atom Count: 5
• Complexity: 17.6

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2-methylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-37-36/37/38
• Safety Statements: 16-23-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: CC(C)CBr
• Uses: 1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.

Technology Process of 1-Bromo-2-methylpropane

There total 46 articles about 1-Bromo-2-methylpropane 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: 41.0%

2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane (161616-29-1) → Isobutyl bromide (78-77-3) + 1,3-dibromobutane (107-80-2,79390-67-3)

Guidance literature:

With aluminum tri-bromide; In diethyl ether;

Reference yield: 25.0%

2-isobutyl-4-methyl-1,3,2-dioxaborinane (95093-86-0) → Isobutyl bromide (78-77-3) + 1,3-dibromobutane (107-80-2,79390-67-3)

Guidance literature:

With aluminum tri-bromide; In diethyl ether;

Reference yield:

Isobutane (75-28-5,40921-86-6) → t-butyl bromide (507-19-7) + Isobutyl bromide (78-77-3)

Guidance literature:

With norborn-2-ene; N-bromobis(trimethylsilyl)amine; at 44.9 ℃; for 2h; Product distribution; Mechanism; Irradiation; variation of temperature, time, reagent concentration, initiation method;

upstream raw materials:

pyridine

t-butyl bromide

bromocyane

1-isobutylsulfanyl-butane

Downstream raw materials:

N-isobutylpiperidine

ethyl 4-(2-methylpropoxy)benzoate

1-phenyl-2-methylpropane

1-isobutoxy-4-methylbenzene

Refernces

• 1、 -. "New preparation method of febuxostat intermediate". Paragraph 0098-0100. . Retrieved 2020/03/06.
• 2、 -. "Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds". . . Retrieved 2008/06/13.