(E)-2-((butylimino)methyl)phenol
cyclohexylamine
A
N-(2-hydroxybenzylidene)cyclohexylamine
B
N-butylamine
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water; dimethyl sulfoxide at 60℃; for 4.5h; High pressure; Green chemistry; | 99.9% |
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 30 - 60℃; | 93% |
With [DBUH(+)][C4H9COO(-)]; water; potassium formate at 70℃; for 3h; Ionic liquid; | 82% |
Conditions | Yield |
---|---|
With hydrogen In ethanol at 109.84℃; under 18751.9 Torr; for 7.5h; Autoclave; Green chemistry; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
With ammonia; hydrogen at 200℃; under 3750.38 Torr; Reagent/catalyst; Temperature; Pressure; | 97.7% |
With ammonia; nickel at 200℃; | |
With ammonia at 350 - 400℃; als Katalysatoren, eignen sich Cr2O3,NiO und SiO2 auf Al2O3; |
Conditions | Yield |
---|---|
With ammonia; hydrogen In methanol at 30℃; for 15h; Autoclave; | 96% |
With ammonium hydroxide; Ni6AlO(z); hydrogen at 80℃; under 2250.23 Torr; for 3h; Autoclave; | 83% |
With (S)-1-phenyl-ethylamine; pyridoxal 5'-phosphate; pQR1108 In aq. phosphate buffer; dimethyl sulfoxide at 30℃; for 18h; pH=8; Enzymatic reaction; | 42% |
Conditions | Yield |
---|---|
Stage #1: 1-nitrobutane In water; acetonitrile at 20℃; for 0.0833333h; Stage #2: With sodium tetrahydroborate In water; acetonitrile at 20℃; for 0.333333h; | 95% |
Stage #1: 1-nitrobutane In water at 20℃; for 0.0166667h; Stage #2: With sodium tetrahydroborate In water at 50℃; for 0.166667h; | 93% |
With triethylamine In water at 80℃; for 6h; Inert atmosphere; Green chemistry; chemoselective reaction; | 91% |
N,N'-di-n-butylurea
sodium p-toluenesulfonamide
A
N-[(butylamino)carbonyl]-4-methyl-benzenesulfonamide
B
N-butylamine
Conditions | Yield |
---|---|
at 150℃; for 8h; Product distribution; other time;; | A 94.5% B n/a |
at 150℃; for 5h; | A 94.5% B n/a |
Conditions | Yield |
---|---|
With ammonia; zinc(II) oxide at 420℃; | A 92.2% B n/a |
With ammonia; zinc(II) oxide at 340℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C), other catalyst (oxidized form of SMS-4 Zn-Cr-O);; | A 86.7% B 6% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 20 - 30℃; | 90% |
With nickel at 80 - 105℃; Hydrogenation; | |
With lithium aluminium tetrahydride; diethyl ether | |
With ethanol; aluminium amalgam | |
With sodium n-propoxide In propan-1-ol at 69.84℃; for 2h; Reagent/catalyst; | 98 %Chromat. |
Conditions | Yield |
---|---|
With 5-methyl-1,3,4-thiadiazol-2-amine; triethylamine In ethanol; water at 25℃; for 1h; | 89% |
With copper(ll) sulfate pentahydrate; ammonium hydroxide In PEG1000-DIL; methyl cyclohexane at 75℃; for 10h; | 85% |
With 2-methoxy-ethanol; sodium tetraamidoalanate In benzene at 50℃; for 6h; Product distribution; further educt/reagent ratios, temperatures, reaction times; | 57% |
tert-butyl butylcarbamate
N-butylamine
Conditions | Yield |
---|---|
With water at 100℃; for 13h; | 87% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; tris(2,2'-bipyridyl)ruthenium dichloride In water; acetonitrile at 20℃; for 12h; Irradiation; | A 87% B n/a |
Conditions | Yield |
---|---|
With cesium fluoride supported on Celite at 120℃; for 2.5h; chemoselective reaction; | 86% |
5-chloro-valeric acid
A
piperidine
B
piperidin-2-one
C
1-pentanamine
D
N-butylamine
Conditions | Yield |
---|---|
Stage #1: 5-chloro-valeric acid With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry; Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry; | A 85% B 9% C 2% D 2% |
Conditions | Yield |
---|---|
With copper(ll) sulfate pentahydrate; ammonium hydroxide In PEG1000-DIL; methyl cyclohexane at 75℃; for 10h; | 84% |
With dibutyl ether; ammonia; water at 175℃; | |
With ammonia; water at 170℃; | |
With ammonia; water; dibutylamine at 175℃; | |
With tributyl-amine; ammonia; water at 175℃; |
butyric acid
A
butanamide
B
N-butyl-butyramide
C
dibutylamine
D
N-butylamine
Conditions | Yield |
---|---|
Stage #1: butyric acid With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry; Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry; | A 6% B n/a C 5% D 80% |
CuCl2(C4H9NH2)2
dichloro(2,2'-bipyridine)palladium(II)
B
CuCl(bipyridine)
C
methyl N-butylcarbamate
D
n-butylamine hydrochloride
E
N-butylamine
Conditions | Yield |
---|---|
With nitrogen In tetrahydrofuran byproducts: CuCl; Pd-compd. in THF and CuCl2(BuNH2)2 in a Cu/Pd molar ratio of 4:1 are loaded sep. in the 2 branches of an inverted-Y glass reactor. Reactor is closed under N2, contents are mixed and stirred for 1 h.; IR, GC-MS and GLC anal. of liq. phase shows presence of BuNH2COOCH3. Filtn. of solid residue (anaerobic conditions), sepn. of PdCl2(bipy) from CuCl by addn. of MeOH soln. contg. bipy, IR, elem. anal. Removal of MeOH(vac.) gives CuCl(bipy). Elem. anal.; | A n/a B n/a C 79% D n/a E n/a |
Conditions | Yield |
---|---|
at 250℃; | A 62% B 75% |
{(n-C4H9NH2)2BH2}{SC2H5}
A
tert-butylamine borane complex
B
N,N',N''-tri-n-butylborazine
C
HB(NH-n-C4H9)2
D
N-butylamine
E
ethanethiol
Conditions | Yield |
---|---|
In not given byproducts: H2; thermal decomposition between 40 and 50°C;; | A 33% B 15% C 15% D n/a E 75% |
In not given |
1-butyl-6-tolyl-2,5-dithiobiurea
A
2-(4'-methylphenylamino)-Δ2-1,3,4-thiadiazoline-5-thione
B
N-butylamine
Conditions | Yield |
---|---|
With sodium hydroxide In water Heating; | A 74% B n/a |
1-butyl-6-phenyl-2,5-dithiobiurea
A
N-butylamine
B
5-phenylamino-3H-[1,3,4]thiadiazole-2-thione
Conditions | Yield |
---|---|
With sodium hydroxide In water Heating; | A n/a B 73% |
1-methyl-pyrrolidin-2-one
ammonium hydroxide
propyl cyanide
N-butylamine
Conditions | Yield |
---|---|
In methanol | 73% |
butyl-N,N-diformylamine
N-butylamine
Conditions | Yield |
---|---|
With hydrogenchloride In water for 2h; Heating; | 72% |
1-butyl-6-(4'-ethoxyphenyl)-2,5-dithiobiurea
A
2-(4'-ethoxyphenylamino)-Δ2-1,3,4-thiadiazoline-5-thione
B
N-butylamine
Conditions | Yield |
---|---|
With sodium hydroxide In water Heating; | A 72% B n/a |
Butane-1,4-diol
A
pyrrolidine
B
1-butylpyrrolidine
C
4-(pyrrolidin-1-yl)butan-1-ol
D
1,4-di-(1-pyrrolidinyl)butane
E
N-butylamine
Conditions | Yield |
---|---|
With ammonia; hydrogen; iron RFC at 260℃; Product distribution; Mechanism; other temp. (280, 300, 310 deg C); | A 71% B 12% C n/a D n/a E 9% |
Conditions | Yield |
---|---|
for 0.0333333h; microwave irradiation; | 100% |
In decaethylene glycol at 120℃; for 6h; | 98% |
In water at 90 - 180℃; for 0.8h; Inert atmosphere; | 96.2% |
2-chloro-5-nitropyridine
N-butylamine
N-(5-nitropyridin-2-yl)butylamine
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; | 100% |
With ethanol | |
In methanol for 2h; Heating; | |
In dimethyl sulfoxide at 25℃; Kinetics; | |
In acetonitrile at 25℃; Kinetics; Further Variations:; amine concentration; |
4-bromo-1,8-naphthalenedicarboxylic anhydride
N-butylamine
4-bromo-N-butylnaphthalimide
Conditions | Yield |
---|---|
In ethanol at 78℃; for 4h; | 100% |
In ethanol for 26h; Reflux; | 100% |
for 3h; Reflux; | 94.5% |
Conditions | Yield |
---|---|
In 1,4-dioxane at 20℃; for 1h; | 100% |
In 1,4-dioxane at 20 - 40℃; for 3h; | 100% |
In 1,4-dioxane | 96% |
Conditions | Yield |
---|---|
With 2-hydroxypyridin In benzene at 25℃; Rate constant; other catalysts, other solvents, var. conc. of catalysts; | 100% |
With 1-(1-butyl)-3-methylimidazolium tetrafluoroborate In acetonitrile at 25℃; Kinetics; Further Variations:; Reagents; Solvents; | 100% |
at 25℃; for 2h; | 56% |
Conditions | Yield |
---|---|
With aluminum oxide for 5h; Milling; | 100% |
at 20℃; for 2h; | 100% |
With HC(CMeN(2,6-Et2C6H3)2)Al(μ-S)2AlHC(CMeN(2,6-Et2C6H3))2 In chloroform-d1 at 20℃; for 2h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
Stage #1: phenyl isocyanate; N-butylamine In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h; | 100% |
at 20℃; | 98% |
In hexane at 25℃; Cooling with ice; | 98% |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
N-butylamine
1-amino-4-(butylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; copper(II) sulfate; iron(II) sulfate In water at 70 - 90℃; for 4h; | 100% |
With copper(I) sulfate; water; sodium carbonate; copper(II) sulfate at 80 - 90℃; |
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h; | 100% |
In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere; | 96% |
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 12.5h; | 95% |
Conditions | Yield |
---|---|
In ethanol at 20℃; for 2h; Michael addition; | 100% |
With poly(ethylene glycol) 2000; ruthenium trichloride at 50℃; for 8h; aza-Michael addition; | 96% |
Stage #1: N-butylamine With cerous nitrate for 4h; Reflux; Stage #2: ethyl acrylate for 8h; Time; | 93.8% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; for 1h; | 100% |
With sodium hydroxide |
N-butylamine
phosphonic acid diethyl ester
diethyl N-butylphosphoramidate
Conditions | Yield |
---|---|
With potassium carbonate; potassium hydrogencarbonate; tetrabutylammomium bromide In tetrachloromethane; dichloromethane at 15 - 20℃; for 2h; | 100% |
With copper(ll) bromide In ethyl acetate at 25℃; for 3h; | 92% |
Stage #1: phosphonic acid diethyl ester With pyridine In acetonitrile Stage #2: N-butylamine With iodine In acetonitrile for 0.0833333h; | 85% |
In tetrachloromethane; xylene |
2-Chloro-3-nitropyridine
N-butylamine
N-(3-nitropyridin-2-yl)butylamine
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; | 100% |
In methanol for 2h; Heating; | |
With potassium carbonate | |
In dimethyl sulfoxide at 25℃; Kinetics; | |
In acetonitrile at 25℃; Kinetics; Further Variations:; amine concentration; |
Conditions | Yield |
---|---|
In benzene at 80℃; for 2h; | 100% |
In neat (no solvent) at 60℃; for 0.0666667h; Microwave irradiation; | 98% |
In diethyl ether Ambient temperature; | 87% |
Conditions | Yield |
---|---|
zirconium(IV) oxide at 200℃; Product distribution; the liquid- and vapor-phase amidation were investigated with different heterogeneous catalysts; | 100% |
zirconium(IV) oxide at 200℃; | 100% |
With (1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium)3[PW12O403-] In neat (no solvent) at 100℃; for 0.0833333h; Green chemistry; | 93% |
N,N-dimethyl-formamide dimethyl acetal
N-butylamine
N2-n-butyl-N1,N1-dimethylformamidine
Conditions | Yield |
---|---|
at 60℃; | 100% |
Conditions | Yield |
---|---|
zirconium(IV) oxide at 200℃; | 100% |
With tin(IV) oxide at 200℃; further conditions: liquid phase, reflux; | 79% |
With aluminum oxide; monoaluminum phosphate at 77℃; | 75% |
With potassium tert-butylate at 95℃; for 0.05h; microwave irradiation; | 70% |
Conditions | Yield |
---|---|
at 40℃; for 1h; lipase SP 382 (from Candida sp.); | 100% |
Stage #1: N-butylamine With TurboGrignard In tetrahydrofuran at 20℃; for 0.1h; Microreactor; Stage #2: butanoic acid ethyl ester In tetrahydrofuran at 20℃; for 0.233333h; Bodroux reaction; Microreactor; | 82% |
1-chloro-4-methyl-2-nitro-benzene
N-butylamine
N-butyl-4-methyl-2-nitroaniline
Conditions | Yield |
---|---|
at 92℃; for 96h; Inert atmosphere; | 100% |
for 3.5h; Heating; |
ethyl 5-oxo-2-phenyl-2,5-dihydroisoxazole-4-carboxaldehyde
N-butylamine
N,N'-dibutyl-N''-phenylmethanetricarboxamide
Conditions | Yield |
---|---|
In acetone at 25℃; | 100% |
Irradiation; silica glass; | 80% |
In acetone at 20℃; for 0.25h; Irradiation; | 37% |
Conditions | Yield |
---|---|
chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) at 100℃; | 100% |
With Diethyl phosphonate Rate constant; Ambient temperature; | |
at 150℃; under 7500.75 Torr; |
1,1,1,3,3,3-hexachloro-propan-2-one
N-butylamine
A
chloroform
B
trichloro-acetic acid butylamide
Conditions | Yield |
---|---|
In hexane | A n/a B 100% |
4-hydroxy-4-methylhex-2-ynenitrile
N-butylamine
4-[(E)-Butylimino]-5-ethyl-5-methyl-4,5-dihydro-furan-2-ylamine
Conditions | Yield |
---|---|
In dichloromethane at 40℃; for 24h; | 100% |
5-(dimethylamino)naphth-1-ylsulfonyl chloride
N-butylamine
(N,N-dimethylamino)-naphthalene-N-butyl-1-sulfonamide
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 3.5h; Inert atmosphere; | 100% |
90% | |
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
at 20℃; for 6h; | 100% |
With N,N,N,N-tetraethylammonium tetrafluoroborate In acetonitrile at 20℃; Electrolysis; | 85% |
The Butylamine is an organic compound with the formula C4H11N. The IUPAC name of this chemical is butan-1-amine. With the CAS registry number 109-73-9, it is also named as 1-Amino-butaan. The product's categories are Pharmaceutical Intermediates; Anilines, Aromatic Amines and Nitro Compounds; Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it is colourless to yellow liquid, which should be stored in a cool and well-ventilated place. It is used as an ingredient in the manufacture of pesticides (such as thiocarbazides), pharmaceuticals, and emulsifiers. It is also a precursor for the manufacture of N,N'-dibutylthiourea, a rubber vulcanization accelerator, and n-butylbenzenesulfonamide, a plasticizer of nylon.
Physical properties about Butylamine are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -2.17; (3)ACD/LogD (pH 7.4): -1.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 24.11 cm3; (14)Molar Volume: 98.2 cm3; (15)Polarizability: 9.56×10-24cm3; (16)Surface Tension: 25.3 dyne/cm; (17)Density: 0.744 g/cm3; (18)Flash Point: °C; (19)Enthalpy of Vaporization: 31.81 kJ/mol; (20)Boiling Point: 77.3 °C at 760 mmHg; (21)Vapour Pressure: 97.3 mmHg at 25°C.
Preparation of Butylamine: Butylamine can be prepared by butanol vapor and ammonia . This reaction will need catalyst alumina and molybdenum oxide.
Uses of Butylamine: it can be used to produce N,N'-dibutyl-acetamidine and 2,4,6-trimethyl-[1,3,5]triazine by heating. It will need reagent Ln(CF3SO3)3 with reaction time of 18 hours. The yield is about 4.7%.
When you are using Butylamine, please be cautious about it as the following:
The Butylamine is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection and do not empty into drains. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCC
(2)InChI: InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
(3)InChIKey: HQABUPZFAYXKJW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
(5)Std. InChIKey: HQABUPZFAYXKJW-UHFFFAOYSA-N
The toxicity data of Butylamine is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 430mg/kg (430mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
guinea pig | LD50 | skin | 500uL/kg (0.5mL/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
mammal (species unspecified) | LD50 | unreported | 590mg/kg (590mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975. | |
mouse | LC50 | inhalation | 800mg/m3/2H (800mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982. | |
mouse | LD50 | intraperitoneal | 629mg/kg (629mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
mouse | LD50 | intravenous | 198mg/kg (198mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
mouse | LD50 | oral | 430mg/kg (430mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
rabbit | LD50 | skin | 850uL/kg (0.85mL/kg) | Union Carbide Data Sheet. Vol. 7/19/1965, | |
rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
rat | LD50 | oral | 366mg/kg (366mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 63, Pg. 150, 1982. |
rat | LDLo | parenteral | 600mg/kg (600mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 20, Pg. 435, 1923. |
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