Conditions | Yield |
---|---|
heating at 220°C for 4 h; fractional distn. at 64-66°C at 0.1 Torr; | A n/a B 81% |
heating at 220°C for 4 h; fractional distn. at 64-66°C at 0.1 Torr; | A n/a B 81% |
Conditions | Yield |
---|---|
With sulfuric acid; hydrogen bromide In water at 90 - 95℃; | 42.9% |
With phosphorus; bromine | |
With sulfuric acid; water; potassium bromide |
2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane
A
Isobutyl bromide
B
1,3-dibromobutane
Conditions | Yield |
---|---|
With aluminum tri-bromide In diethyl ether | A n/a B 41% |
2-isobutyl-4-methyl-1,3,2-dioxaborinane
A
Isobutyl bromide
B
1,3-dibromobutane
Conditions | Yield |
---|---|
With aluminum tri-bromide In diethyl ether | A n/a B 25% |
bromocyane
1-isobutylsulfanyl-butane
A
1-bromo-butane
B
Isobutyl bromide
C
isobutyl thiocyanate
Conditions | Yield |
---|---|
at 70℃; im Rohr; |
dibromophosphoric acid isobutyl ester
2-methyl-propan-1-ol
Isobutyl bromide
Conditions | Yield |
---|---|
at 17℃; |
bromophosphoric acid diisobutyl ester
Isobutyl bromide
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With naphthalene; bromine |
Conditions | Yield |
---|---|
at 210 - 220℃; | |
at 205 - 240℃; Geschwindigkeit; | |
at 210 - 220℃; im Rohr; | |
Gleichgewicht des Systems Isobutylbromid-tert.-Butylbromid liegt bei ca. 76prozent tert.-Bromid; |
Conditions | Yield |
---|---|
at 300℃; |
Conditions | Yield |
---|---|
With hydrogen bromide |
Conditions | Yield |
---|---|
With aluminium trichloride; hydrogen bromide |
methylene
isopropyl bromide
A
t-butyl bromide
B
Isobutyl bromide
C
s-butyl bromide
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid |
Conditions | Yield |
---|---|
With hydrogen bromide | |
With ascaridole; hydrogen bromide |
Conditions | Yield |
---|---|
With Cu(i-BuBr)2+ Thermodynamic data; free energie for exchange of both ligands; |
Conditions | Yield |
---|---|
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; | |
With N-Bromosuccinimide In dichloromethane at 15℃; Product distribution; Irradiation; CH2CCl2; influence of additive - BrCCl3; | |
With N-Bromosuccinimide; 1,1-Dichloroethylene In dichloromethane at 14 - 15℃; | A 0.133 mmol B 0.084 mmol |
Isobutane
A
tertiary butyl chloride
B
t-butyl bromide
C
Isobutyl bromide
D
isobutyryl chloride
E
tert-butyl alcohol
Conditions | Yield |
---|---|
With IVTPP(OIPh)>2O; BrMnIIITPP In chlorobenzene at 25℃; Product distribution; Mechanism; | A 6 % Chromat. B 18 % Chromat. C 2 % Chromat. D 2 % Chromat. E 11 % Chromat. |
Isobutane
A
tertiary butyl chloride
B
t-butyl bromide
C
Isobutyl bromide
D
tert-butyl alcohol
Conditions | Yield |
---|---|
With (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride; IVTPP(OIPh)>2O In chlorobenzene at 25℃; Product distribution; Mechanism; | A 7 % Chromat. B 11 % Chromat. C 2 % Chromat. D 10 % Chromat. |
Isobutane
A
t-butyl bromide
B
Isobutyl bromide
C
tert-butyl alcohol
Conditions | Yield |
---|---|
With IVTPP(OIPh)>2O In chlorobenzene at 25℃; for 1h; Product distribution; Mechanism; further reagents (BrMnIIITPP); | A 13 % Chromat. B 2 % Chromat. C 11 % Chromat. |
Conditions | Yield |
---|---|
With pyridine; tributyltin bromide at 125℃; Thermodynamic data; Equilibrium constant; Δ G; | 33 % Spectr. |
Conditions | Yield |
---|---|
With pyridine; tributyltin bromide at 125℃; Thermodynamic data; Equilibrium constant; Δ G; |
Conditions | Yield |
---|---|
With Cu(i-BuBr)2+ Thermodynamic data; free energie for exchange of both ligands; |
n-butane
A
t-butyl bromide
B
Isobutyl bromide
C
s-butyl bromide
Conditions | Yield |
---|---|
With 2AlBr3*CBr4; bromine at -20℃; for 2h; Title compound not separated from byproducts; | |
With 2AlBr3*CBr4; bromine In various solvent(s) at -20℃; for 2h; Yields of byproduct given. Title compound not separated from byproducts; | |
With 2AlBr3*CBr4; bromine at -20℃; for 2h; Yield given. Title compound not separated from byproducts; | |
With 2AlBr3*CBr4; bromine In various solvent(s) at -20℃; for 2h; Yield given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With helium; hydrogen bromide at 27.9 - 393.9℃; Kinetics; Thermodynamic data; Irradiation; ΔS, ΔH, ΔG; |
Conditions | Yield |
---|---|
With helium; hydrogen bromide at 27.9 - 276.9℃; Kinetics; Irradiation; ΔS, ΔG, ΔH; |
Conditions | Yield |
---|---|
UV-Licht.Irradiation; | |
UV-Licht.Irradiation; |
ascaridole
hydrogen bromide
isobutene
Isobutyl bromide
aluminium trichloride
hydrogen bromide
isobutyryl chloride
A
t-butyl bromide
B
Isobutyl bromide
Conditions | Yield |
---|---|
[2.2.2]cryptande In tetrahydrofuran for 0.25h; | 100% |
Isobutyl bromide
methanethiol
(2-Isobutylsulfanylmethyl-phenyl)-methanol
Conditions | Yield |
---|---|
In methanol for 48h; Ambient temperature; | 100% |
Isobutyl bromide
Conditions | Yield |
---|---|
Stage #1: 3,6-dibromo-8-methoxyimidazo[1,2-a]pyrazine In tetrahydrofuran; hexane at -75℃; for 0.25h; Metallation; Stage #2: Isobutyl bromide In tetrahydrofuran; hexane at -75 - 20℃; for 0.25h; Substitution; | 100% |
Isobutyl bromide
3-butenyl(1,3-dithian-2-yl)methylphenylsilane
3-butenyl[2-(2-methylpropyl)-1,3-dithian-2-yl]methylphenylsilane
Conditions | Yield |
---|---|
Stage #1: 3-butenyl(1,3-dithian-2-yl)methylphenylsilane With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 3h; Stage #2: Isobutyl bromide In tetrahydrofuran; hexane at -78 - 20℃; Further stages.; | 100% |
Conditions | Yield |
---|---|
Stage #1: Isobutyl bromide With iodine; magnesium In diethyl ether Stage #2: benzonitrile In diethyl ether for 6h; Heating; | 100% |
Stage #1: Isobutyl bromide With iodine; magnesium In diethyl ether Inert atmosphere; Stage #2: benzonitrile In diethyl ether for 6h; Grignard reaction; Reflux; Stage #3: With sulfuric acid; water In diethyl ether Heating; | 100% |
Stage #1: Isobutyl bromide With iodine; magnesium In diethyl ether for 1h; Inert atmosphere; Reflux; Stage #2: benzonitrile In diethyl ether at 20℃; for 0.5h; Reflux; Inert atmosphere; | 29% |
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide In water; methyl cyclohexane at 110℃; for 5.5h; Product distribution / selectivity; Heating / reflux; | 100% |
With potassium hydroxide In ethanol at 78℃; for 1.5h; | 64% |
Isobutyl bromide
Methyl 4-hydroxyphenylacetate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20 - 80℃; for 73h; | 100% |
Stage #1: Methyl 4-hydroxyphenylacetate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: Isobutyl bromide In N,N-dimethyl-formamide at 80℃; for 72h; Reagent/catalyst; | 94.6% |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 6h; Temperature; | 94.02% |
Isobutyl bromide
methyl 2-(3,4-dichlorophenyl)acetate
2-(3,4-dichlorophenyl)-4-methyl-pentanoic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: methyl 2-(3,4-dichlorophenyl)acetate With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.75h; Inert atmosphere; Stage #2: Isobutyl bromide In tetrahydrofuran at -78 - 25℃; Inert atmosphere; | 100% |
4-(2-chloro-9H-purin-6-yl)morpholine
Isobutyl bromide
2-chloro-9-isobutyl-6-morpholin-4-yl-9H-purine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h; | 100% |
Isobutyl bromide
3-benzyloxy-4-hydroxybenzaldehyde
4-isobutoxy-3-benzyloxybenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 20h; | 100% |
2-hydroxy-4-methoxypyridine-3-carbonitrile
Isobutyl bromide
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 100℃; for 16h; | 100% |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 130℃; | 100% |
Conditions | Yield |
---|---|
With potassium iodide In N,N-dimethyl-formamide at 60℃; for 10h; Reagent/catalyst; Solvent; Temperature; | 100% |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 6h; | 98.5% |
With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 70℃; for 18h; | 98% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone for 48h; Heating; | 99.5% |
Isobutyl bromide
Dimethyl 5-hydroxyisophthalate
dimethyl 5-(isobutyloxy)isophthalate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 20h; | 99.5% |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 60℃; for 72h; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
With iodine; magnesium In diethyl ether for 0.75h; Inert atmosphere; Cooling with ice; Reflux; | 99% |
With magnesium In diethyl ether Thermodynamic data; -ΔH(reaction); | |
With magnesium In diethyl ether |
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran at 20 - 40℃; for 16h; Inert atmosphere; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 20h; Inert atmosphere; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 20h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol (N2); Fe complex reacted with NaBH4 in EtOH; reacted with alkyl halide in EtOH; | 99% |
Isobutyl bromide
3,5-dihydroxybenzaldehyde
3,5-diisobutoxybenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 55℃; for 2.5h; | 99% |
Isobutyl bromide
3-(5-iodo-1H-indazol-1-yl)benzoic acid
isobutyl 3-(5-iodo-1H-indazol-1-yl)benzoate
Conditions | Yield |
---|---|
With sodium carbonate In 1-methyl-pyrrolidin-2-one at 40 - 55℃; | 99% |
Stage #1: 3-(5-iodo-1H-indazol-1-yl)benzoic acid With sodium carbonate In 1-methyl-pyrrolidin-2-one at 40℃; Stage #2: Isobutyl bromide In 1-methyl-pyrrolidin-2-one at 40 - 55℃; | 99% |
L-homocystine
Isobutyl bromide
(2S)-2-amino-4-[(2-methylpropyl)sulfanyl]butanoic acid
Conditions | Yield |
---|---|
With ammonia; sodium at -78℃; | 99% |
Conditions | Yield |
---|---|
Stage #1: Isobutyl bromide With magnesium In tetrahydrofuran for 1.5h; Reflux; Stage #2: 12-bromododecanol With dilithium tetrachlorocuprate In tetrahydrofuran at -78 - 20℃; for 1.66667h; | 99% |
Conditions | Yield |
---|---|
Stage #1: 4-tolylacetic acid With n-butyllithium In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere; Stage #2: Isobutyl bromide In tetrahydrofuran for 0.25h; Inert atmosphere; | 99% |
Isobutyl bromide
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
Conditions | Yield |
---|---|
With potassium carbonate; N,N-dimethyl-formamide In toluene at 105℃; for 4h; | 98.71% |
Isobutyl bromide
ethyl-2-(3-cyano-4-hydroxy phenyl)-4-methyl thiozole-5-carboxylate
2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In ethyl acetate at 65 - 70℃; for 5h; Temperature; Solvent; Reagent/catalyst; | 98.2% |
With potassium carbonate In N,N-dimethyl-formamide at 75℃; for 8h; | 92.9% |
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 90℃; for 3h; | 88% |
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 90℃; for 3h; | 88% |
With potassium carbonate In N,N-dimethyl-formamide at 75℃; for 15h; | 2.28 g |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 70℃; for 3h; Inert atmosphere; | 98% |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 85℃; for 6h; | 96% |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 85℃; for 6h; | 95% |
Conditions | Yield |
---|---|
Stage #1: picoline With n-butyllithium In tetrahydrofuran at -78 - 45℃; for 2h; Stage #2: Isobutyl bromide In tetrahydrofuran at -78 - 20℃; Stage #3: With water In tetrahydrofuran | 98% |
Conditions | Yield |
---|---|
In tetrahydrofuran 0°C in N2-atmosphere; various yields for various conditions; | 98% |
In tetrahydrofuran byproducts: NaBr; under argon, equimolar amounts, at 0°C; GLC; | 82% |
Isobutyl bromide
3-hydroxy-4,5-dimethoxybenzaldehyde
3-isobutoxy-4,5-dimethoxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 3-hydroxy-4,5-dimethoxybenzaldehyde With caesium carbonate In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Stage #2: Isobutyl bromide In N,N-dimethyl-formamide at 20℃; | 98% |
Isobutyl bromide
Conditions | Yield |
---|---|
Stage #1: 4-(4-bromo-2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: Isobutyl bromide In N,N-dimethyl-formamide at 60℃; for 12h; | 98% |
The IUPAC name of this chemical is 1-bromo-2-methylpropane. With the CAS registry number 78-77-3, it is also named as Bromoisobutane; iso-Butyl bromide. The product's categories are organics and alkyl bromide. It is clear liquid which is slightly soluble in water, and miscible with ethanol, ether and other organic solvents. In addition, it is flammable by fire, heat and oxidants. When heated to decomposition it emits toxic fumes of Br-. The storage environment should be ventilate, low-temperature and dry. Keep it separate from oxidant and acid.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.78; (6)ACD/BCF (pH 7.4): 51.78; (7)ACD/KOC (pH 5.5): 587; (8)ACD/KOC (pH 7.4): 587; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 28.27 cm3; (14)Molar Volume: 108.1 cm3; (15)Polarizability: 11.2×10-24 cm3; (16)Surface Tension: 24.6 dyne/cm; (17)Enthalpy of Vaporization: 31.33 kJ/mol; (18)Vapour Pressure: 62.9 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 135.988763; (21)MonoIsotopic Mass: 135.988763; (22)Heavy Atom Count: 5.
Preparation of 1-Bromo-2-methylpropane: It can be obtained by 2-isobutoxy-4-methyl-[1,3,2]dioxaborinane with anhyd. AlBr3 in solvent diethyl ether. The yield is 41% and this reaction can get another product 1,3-dibromo-butane.
Uses of 1-Bromo-2-methylpropane: It is used as solvent, organic synthesis and pharmaceutical intermediate. It can react with piperazine to get 1-isobutyl-piperazine. This reaction needs reagent toluene at temperature of 90 °C.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so keep it away from sources of ignition.. And it is irritating to eyes, respiratory system and skin, so people should not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: BrCC(C)C;
2. InChI: InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3.
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LC50 | inhalation | 50500mg/m3 (50500mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
mouse | LD50 | intraperitoneal | 1660mg/kg (1660mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. |
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