Conditions | Yield |
---|---|
With hydrogenchloride; water; oxygen; copper dichloride at 59.9℃; Product distribution; Mechanism; other alcohols, var. conc. of reagents, var. temperat.; | A 100% B n/a |
With phosphan; chlorine Rate constant; Thermodynamic data; Ea, ΔS(excit.); also in the presence of pyridine; |
Conditions | Yield |
---|---|
With hexabutylguanidinium chloride at 100℃; for 0.05h; | 100% |
Conditions | Yield |
---|---|
With phosphorus pentachloride; trichlorophosphate for 0.5h; Heating; other alkyl and aryl iodides; | 98% |
With mercury dichloride |
Conditions | Yield |
---|---|
With hydrogenchloride In water at 115℃; for 2h; Reagent/catalyst; Temperature; | 96.9% |
With hydrogenchloride; dimethyl sulfoxide In water at 85 - 95℃; for 20h; Temperature; Reagent/catalyst; | 93.5% |
With hydrogenchloride at 75 - 80℃; Concentration; | 91.5% |
Conditions | Yield |
---|---|
With hydrogenchloride; tetrabutylphosphonium ion; silica gel at 170℃; under 760 Torr; | A 95% B 4 % Chromat. |
Conditions | Yield |
---|---|
With Trichloromethanesulfonyl chloride In dichloromethane at 18℃; for 3.5h; Irradiation; | A n/a B 95% C n/a |
dichlorofluoromethanesulphenyl chloride
n-butane
A
n-Butyl chloride
B
bis(dichlorofluoromethyl)disulfane
C
2-(Dichloro-fluoro-methylsulfanyl)-butane
Conditions | Yield |
---|---|
A 8.5% B 92.4% C 2.3% | |
A 8.5% B 92.4% C 2.3% |
1,1-dibutoxy-2,2-dichloro-ethene
A
n-Butyl chloride
B
butoxycarbonyldichloromethanesulfenyl chloride
Conditions | Yield |
---|---|
With sulfur monochloride In dichloromethane under Ar atmosphere, spontaneous heating to 45 deg C 30 min, 20 deg C 2,5 h; | A n/a B 90% |
butan-1-ol
A
phosphoric acid tributyl ester
B
n-Butyl chloride
C
dibutyl ether
Conditions | Yield |
---|---|
With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃; Kinetics; Product distribution; Mechanism; ΔE(excit.), ΔS(excit.); other reagents, other catalysts; | A 90% B n/a C n/a |
With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃; | A 90% B n/a C n/a |
tetrachloromethane
dibutylmercury
B
n-Butyl chloride
C
chloroform
D
n-butylmercuric chloride
Conditions | Yield |
---|---|
In neat (no solvent) 150°C, 25 h; further products; | A 2% B 87% C 105 % D 7% E 89% |
Dibutylboran-butylester
phosphorus pentachloride
A
n-Butyl chloride
B
dibutylchloroborane
C
trichlorophosphate
Conditions | Yield |
---|---|
exothermic react.; removing C4H9Cl and OPCl3 at reduced pressure, distn. of residue; | A n/a B 89% C n/a |
1-bromo-butane
1-bromo-3-chloro-2-methyl propane
A
n-Butyl chloride
B
1,3-dibromo-2-methylpropane
Conditions | Yield |
---|---|
With tetrabutylammomium bromide at 105 - 110℃; Inert atmosphere; Schlenk technique; | A n/a B 86% |
Conditions | Yield |
---|---|
With zinc(II) chloride at 125℃; for 1h; Product distribution; Rate constant; other time; the thermal stability of the product was investigated by DTA, DTG and TG; | A n/a B 85% |
Conditions | Yield |
---|---|
With chlorine In tetrahydrofuran at 0℃; Product distribution; | A 14% B 84% |
With chlorine In diethyl ether at 0℃; | A 84 % Chromat. B 14 % Chromat. |
phosphorus pentachloride
1,4-bis(di-n-butoxy)-boryl-phenylene
A
n-Butyl chloride
B
1,4-bis(dichloroboryl)benzene
C
trichlorophosphate
Conditions | Yield |
---|---|
In tetrachloromethane boiled for 7 h using back-flow; distn. of CCl4, sublimation; | A n/a B 84% C n/a |
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate; tert-butylmagnesium chloride In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere; | 83% |
With borohydride exchange resin; nickel diacetate In methanol for 3h; Ambient temperature; | 95 % Chromat. |
With Amberlite IRA-400; borohydride form; copper(II) sulfate In methanol at 20℃; for 1h; Reduction; | 95 % Chromat. |
Conditions | Yield |
---|---|
With calcium chloride at 122℃; for 1h; Product distribution; other time; | A n/a B 81% |
With calcium chloride at 122℃; for 1h; | A n/a B 81% |
Conditions | Yield |
---|---|
With sulfur dichloride In dichloromethane | A n/a B 81% |
Conditions | Yield |
---|---|
With 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In toluene Reflux; | 81% |
N,N-dimethyl-formamide
butan-1-ol
A
n-Butyl chloride
B
n-butyl formate
Conditions | Yield |
---|---|
With benzoyl chloride at 80℃; for 2h; | A 81% B n/a |
phosgene
vinylphosphonic acid-di-n-butyl ester
A
n-Butyl chloride
B
vinyldichlorophosphine oxide
Conditions | Yield |
---|---|
A n/a B 80.5% |
chlorodifluoromethansulfenylchloride
n-butane
A
s-butyl chloride
B
n-Butyl chloride
C
2-(Chloro-difluoro-methylsulfanyl)-butane
D
n-C4H9SCF2Cl
E
bis(chlorodifluoromethyl)disulfane
Conditions | Yield |
---|---|
A 21.8% B 2.8% C 12.7% D 7% E 80.3% | |
A 21.8% B 2.8% C 12.7% D 7% E 80.3% |
Conditions | Yield |
---|---|
With Cl*2H2O In toluene at 150℃; | 80% |
With chloride ions In gas at 125℃; under 640 Torr; Rate constant; nitrogen buffer gas; | |
With chloride at 30.9℃; under 760 Torr; Kinetics; Thermodynamic data; Equilibrium constant; ΔE0, ΔG0, mechanism; | |
With chloride In gas at 35 - 150℃; under 640 Torr; Thermodynamic data; Ea; var. pressure; | |
With 1,1,2,2-tetrachloroethylene at 90℃; for 24h; Inert atmosphere; |
phosphorus pentachloride
1,3-bis(di-n-butoxy)-boryl-phenylene
A
n-Butyl chloride
B
1,3-(BCl2)2-C6H4
C
trichlorophosphate
Conditions | Yield |
---|---|
In tetrachloromethane boiled for 7 h using back-flow; distn.; | A n/a B 79% C n/a |
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium trichloride; silica gel at 170℃; under 760 Torr; Product distribution; other catalysts, other alcohols, other products; | A 7 % Chromat. B 78% C n/a |
Conditions | Yield |
---|---|
With CPT | A n/a B 77% |
Butyl phosphorodifluoridite
ethyl chloromethyl ether
A
n-Butyl chloride
B
(ethoxymethyl)phosphonic difluoride
Conditions | Yield |
---|---|
With iron(III) chloride for 1.5h; Heating; | A n/a B 76% |
trichloromethylphosphonous dichloride
butan-1-ol
A
dibutyl hydrogen phosphite
B
n-Butyl chloride
C
chloroform
Conditions | Yield |
---|---|
A 75.4% B n/a C n/a |
methyl 2,2-dichloro-2-methoxyacetate
Butyl phosphorodifluoridite
A
n-Butyl chloride
B
phosphonic difluoride
Conditions | Yield |
---|---|
With iron(III) chloride at 60 - 80℃; for 0.75h; | A n/a B 75% |
Conditions | Yield |
---|---|
With 1-n-butyl-3-(methoxyethoxymethyl)imidazolium chloride at 90℃; for 3h; Solvent; Inert atmosphere; Green chemistry; | 100% |
With tetrabutyl ammonium fluoride at 80℃; for 12h; | 70% |
durch Erhitzen molekularer Mengen auf dem Wasserbad; |
Conditions | Yield |
---|---|
With 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-imidazol-3-ium chloride at 90℃; for 3h; Inert atmosphere; Green chemistry; | 100% |
Conditions | Yield |
---|---|
With 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-imidazol-3-ium chloride at 90℃; for 3h; Inert atmosphere; Green chemistry; | 100% |
Conditions | Yield |
---|---|
With hydrogen; sodium hydrogencarbonate; {W(CO)5Cl}(1-) In tetrahydrofuran at 150℃; under 80 - 85 Torr; for 24h; | 100% |
n-Butyl chloride
(E)-N-(phenylmethylene)-1-(trimethylsilyl)methylamine
dimethylfumarate
(3R,4R)-2-Phenyl-pyrrolidine-3,4-dicarboxylic acid dimethyl ester
Conditions | Yield |
---|---|
In N,N,N,N,N,N-hexamethylphosphoric triamide at 40 - 45℃; | 100% |
1-methyl-1H-imidazole
n-Butyl chloride
1-butyl-3-methylimidazolium chloride
Conditions | Yield |
---|---|
Alkylation; | 100% |
In toluene at 112 - 113℃; for 3h; | 100% |
at 170℃; Microwave irradiation; | 99% |
n-Butyl chloride
tert-butyl 2-phenyldiazene-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With zinc(II) chloride In tetrahydrofuran Stage #2: tert-butyl 2-phenyldiazene-1-carboxylate In tetrahydrofuran at -80℃; | 100% |
Conditions | Yield |
---|---|
for 5h; Heating; | 100% |
In acetonitrile at 75℃; for 24h; Inert atmosphere; | 99% |
at 50℃; for 24h; Inert atmosphere; | 87% |
In acetonitrile for 96h; Reflux; | 56% |
n-Butyl chloride
1-isopropyllimidazole
1-butyl-3-isopropylimidazolium chloride
Conditions | Yield |
---|---|
at 75℃; for 12h; Inert atmosphere; neat (no solvent); | 100% |
n-Butyl chloride
[1',1',1'-d3]-1-methyl-1H-imidazole
[1”,1”,1”-d3]-1-n-butyl-3-methylimidazolium chloride
Conditions | Yield |
---|---|
at 95℃; | 100% |
Conditions | Yield |
---|---|
With C11H19N2O2(1+)*Cl(1-) at 90℃; for 3h; Inert atmosphere; Green chemistry; | 100% |
With tetrabutylammomium bromide; sodium hydroxide In water at 100℃; for 2h; | 93 %Chromat. |
Conditions | Yield |
---|---|
With C11H19N2O2(1+)*Cl(1-) at 90℃; for 3h; Inert atmosphere; Green chemistry; | 100% |
tin
n-Butyl chloride
A
dibutyltin chloride
B
tributyltin chloride
Conditions | Yield |
---|---|
With catalyst: dicyclohexyl-18-crown-6/n-C4H9I In N,N-dimethyl-formamide 120°C; 24 h; excess KI;; analyzed by GLC;; | A 99% B 1% |
With catalyst: dibenzo-18-crown-6/n-C4H9I In N,N-dimethyl-formamide 120°C; 24 h; excess KI;; analyzed by GLC;; | A 98% B 2% |
With catalyst: dibenzo-18-crown-6/n-C8H17I In N,N-dimethyl-formamide 120°C; 24 h; excess KI;; analyzed by GLC;; | A 98% B 2% |
n-Butyl chloride
(-)-(2S)-(nonafluorobutane-1-sulfonyloxy)-propionic acid tert-butyl ester
(+)-(2S)-methyl-hexanoic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With magnesium Inert atmosphere; Stage #2: (-)-(2S)-(nonafluorobutane-1-sulfonyloxy)-propionic acid tert-butyl ester With zinc(II) chloride at 0℃; for 3h; Inert atmosphere; optical yield given as %ee; enantiospecific reaction; | 99% |
n-Butyl chloride
(-)-(2S)-trifluoromethanesulfonyloxy-3-methyl-butyric acid tert-butyl ester
(+)-(2R)-isopropyl-hexanoic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With magnesium In tetrahydrofuran Inert atmosphere; Stage #2: (-)-(2S)-trifluoromethanesulfonyloxy-3-methyl-butyric acid tert-butyl ester With zinc(II) chloride In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; optical yield given as %ee; enantiospecific reaction; | 99% |
n-Butyl chloride
(-)-(2S)-trifluoromethanesulfonyloxy-(3S)-methyl-pentanoic acid tert-butyl ester
(+)-(2R)-[propyl-(1'S)-methyl]-hexanoic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With magnesium Inert atmosphere; Stage #2: (-)-(2S)-trifluoromethanesulfonyloxy-(3S)-methyl-pentanoic acid tert-butyl ester With zinc(II) chloride at 0℃; for 3h; Inert atmosphere; optical yield given as %ee; enantiospecific reaction; | 99% |
n-Butyl chloride
(-)-(2S)-trifluoromethanesulfonyloxy-propionic acid tert-butyl ester
(+)-(2S)-methyl-hexanoic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With magnesium In tetrahydrofuran Inert atmosphere; Stage #2: (-)-(2S)-trifluoromethanesulfonyloxy-propionic acid tert-butyl ester With zinc(II) chloride In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; optical yield given as %ee; enantiospecific reaction; | 99% |
Conditions | Yield |
---|---|
In ethanol at 90℃; for 24h; Sealed tube; | 99% |
1-(3-bromophenyl)-1H-imidazole
n-Butyl chloride
Conditions | Yield |
---|---|
In acetonitrile at 120℃; for 16h; Sealed tube; | 99% |
n-Butyl chloride
Conditions | Yield |
---|---|
With triethylamine at 25℃; for 16h; | 99% |
Conditions | Yield |
---|---|
With triethylamine at 25℃; for 16h; | 99% |
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane | 99% |
With tetrabutylammomium bromide; sodium hydroxide In water at 20 - 60℃; for 1h; |
n-Butyl chloride
1-butyl-3-methylimidazolium chloride
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole | 98% |
Conditions | Yield |
---|---|
With magnesium In diethyl ether; toluene at 50 - 60℃; Solvent; Inert atmosphere; Flow reactor; | 98% |
With sodium In Petroleum ether (Ar); vigorous stirred suspn. of Na was maintained at 115°C for 30 min, then one drop of SnCl4 was added and ClC4H9 was added dropwise within 3 h at 0-5°C, after 75 min stirring SnCl4 was dropped into mixt. at the same temp. within 2 h; after stirring for a further 2 h at 20-25°C mixt. was filtered off and residue treated with tBuOH, solvents were distd. off from filtrate; identification by GC after methylation; | 91% |
With magnesium In 2-methyltetrahydrofuran for 5h; Solvent; Reflux; | 77.87% |
Stage #1: n-Butyl chloride With magnesium for 0.5h; Reflux; Stage #2: tin(IV) chloride for 3h; Reflux; |
Conditions | Yield |
---|---|
Stage #1: n-Butyl chloride With magnesium; lithium chloride In diethyl ether at 35℃; for 12h; Stage #2: With sodium methylate; zinc(II) chloride In diethyl ether at 0℃; Inert atmosphere; Stage #3: benzaldehyde With (S)-N-(3-methyl-1-(1-pyrrolidin-1-yl)butan-2-yl)-P,P-di(naphthalen-1-yl)phosphinic amideamine at 20℃; for 2h; Neat (no solvent); optical yield given as %ee; | 98% |
Stage #1: n-Butyl chloride With magnesium In diethyl ether Inert atmosphere; Stage #2: benzaldehyde With titanium(IV) isopropylate; (Sa)-2'-[(R)-hydroxy(phenyl)methyl]-(1,1'-binaphthalen)-2-ol In toluene at -40℃; for 4.16h; Grignard reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 41% |
n-Butyl chloride
Conditions | Yield |
---|---|
In acetonitrile at 120℃; for 16h; Sealed tube; | 98% |
In acetonitrile at 150℃; for 24h; | 98% |
1,6-Hexanediamine
n-Butyl chloride
tetraethylammonium bicarbonate
1,6-bis-(n-butoxycarbonyl-amino)-hexane
Conditions | Yield |
---|---|
Stage #1: 1,6-Hexanediamine; tetraethylammonium bicarbonate In acetonitrile at 20℃; for 1h; Stage #2: n-Butyl chloride In acetonitrile at 80℃; for 3h; | 98% |
Stage #1: 1,6-Hexanediamine; tetraethylammonium bicarbonate In acetonitrile at 20℃; for 2h; Green chemistry; Stage #2: n-Butyl chloride In acetonitrile at 80℃; for 3h; Green chemistry; | 90% |
1-Chlorobutane, its cas register number is 109-69-3. It also can be called Butyl chloride; n-Butyl chloride; Butane, 1-chloro-; Chlorure de butyle; N-Propylcarbinyl chloride. It is a water white liquid with a sharp odor. It slightly soluble in water. Its vapors are heavier than air. It is highly flammable. It may react with atmospheric moisture over prolonged periods of exposure. 1-Chlorobutane can be used in the manufacture of a variety of organic chemicals.
Physical properties about 1-Chlorobutane are: (1)ACD/LogP: 2.641; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.91; (5)ACD/BCF (pH 7.4): 59.91; (6)ACD/KOC (pH 5.5): 651.58; (7)ACD/KOC (pH 7.4): 651.58; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.396; (10)Molar Refractivity: 25.43 cm3; (11)Molar Volume: 105.947 cm3; (12)Polarizability: 10.081 10-24cm3; (13)Surface Tension: 22.1079998016357 dyne/cm; (14)Density: 0.874 g/cm3; (15)Flash Point: -6.667 °C ; (16)Enthalpy of Vaporization: 30.39 kJ/mol; (17)Boiling Point: 78.211 °C at 760 mmHg; (18)Vapour Pressure: 103.426002502441 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. Keep container in a well-ventilated place;
2. Keep away from sources of ignition - No smoking;
3. Do not empty into drains;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3;
(2)InChIKey=VFWCMGCRMGJXDK-UHFFFAOYSA-N;
(3)SmilesC(CC)CCl;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | unreported | 8gm/kg (8000mg/kg) | Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979. | |
mouse | LD50 | unreported | 5600mg/kg (5600mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979. | |
rabbit | LDLo | skin | 20gm/kg (20000mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 745, 1969. | |
rat | LCLo | inhalation | 8000ppm/4H (8000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | oral | 2670mg/kg (2670mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | unreported | 2200mg/kg (2200mg/kg) | Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979. |
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