1,4-butamethylene-bis(phenyl carbamate)
A
1,4-diisocyanatobutane
B
phenol
Conditions | Yield |
---|---|
In diphenylether at 240℃; for 2h; Inert atmosphere; | A 58% B n/a |
Conditions | Yield |
---|---|
Stage #1: Adipic acid dichloride With sodium azide In water; acetone Stage #2: In cyclohexane Curtius Rearrangement; Heating; Further stages.; | 57% |
N,N'-diacetoxy-adipamide
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
at 200℃; for 0.5h; Lossen Rearrangement; | 2% |
adipic diazide
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With benzene |
methylammonium carbonate
1,4-diaminobutane
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With 1,2-dichloro-benzene Behandeln mit Phosgen; | |
With 1,2-dichloro-benzene Behandeln mit Phosgen; |
NN'-diformyl-1,4-diaminobutane
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With bromine In benzene |
Conditions | Yield |
---|---|
With 1,2-dichloro-benzene at 160 - 180℃; |
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide |
Conditions | Yield |
---|---|
Stage #1: adipic acid dihydrazide With hydrogenchloride; sodium nitrite In water at 0 - 8℃; Curtius Rearrangement; Stage #2: In benzene at 64℃; |
bis(trichloromethyl) carbonate
1,4-diaminobutane
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 30℃; for 1.5h; Inert atmosphere; |
1,4-diisocyanatobutane
adamantan-2-amine hydrochloride
1,4-(tetramthylene)bis[(adamant-2-yl)urea]
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; | 99% |
1,4-diisocyanatobutane
1-Adamantanamine
1,1'-(butane-1,4-diyl)bis[3-(adamantan-1-yl)urea]
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 15 - 25℃; for 6h; | 99% |
1,4-diisocyanatobutane
1,3,4,6-tetra-O-acetyl-D-glucosamine hydrochloride
Conditions | Yield |
---|---|
With water; calcium carbonate In dichloromethane Ambient temperature; | 98% |
1,4-diisocyanatobutane
amantadine hydrochloride
1,1'-(butane-1,4-diyl)bis[3-(adamantan-1-yl)urea]
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; | 98% |
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; |
1,4-diisocyanatobutane
ethyl 2-oxopyrrolidine-5-carboxylate
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether at 20℃; for 1h; | 97% |
1,4-diisocyanatobutane
1,1'-(butane-1,4-diyl)bis{3-[1-(adamantan-1-yl)ethyl]urea}
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 15 - 25℃; for 6h; | 97% |
1,4-diisocyanatobutane
1-(adamantan-1-yl)-2-aminobutane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 15 - 25℃; for 6h; | 97% |
1,4-diisocyanatobutane
3-(adamantan-1-yloxy)propan-1-amine
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; | 97% |
1,4-diisocyanatobutane
rimantadine hydrochloride
1,1'-(butane-1,4-diyl)bis{3-[1-(adamantan-1-yl)ethyl]urea}
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; | 96% |
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; |
1,4-diisocyanatobutane
with 1-(adamant-1-yl)butan-2-amine hydrochloride
1,4-(tetramethylene)bis{[(adamant-1-yl)sec-butyl-1]urea}
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h; Inert atmosphere; | 96% |
1,4-diisocyanatobutane
3-aminophenylboronic acid pinacolate
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 60℃; for 2h; | 95% |
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; | 95% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 8h; | 95% |
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; | 94% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 8h; | 94% |
1,4-diisocyanatobutane
7-diethylamino-2-imino-2H-1-benzopyran-3-carbonitrile
1,1'-(butane-1,4-diyl)bis{3-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]urea}
Conditions | Yield |
---|---|
In chloroform at 0 - 20℃; | 88% |
1,4-diisocyanatobutane
4,6-diisopropyl-1,3-bis[methylene-(N'-2-aminophenylureylene)]-m-xylene
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide Cycloaddition; | 85% |
Conditions | Yield |
---|---|
With dibutyltin dilaurate In diethyl ether at 0 - 20℃; for 4h; Inert atmosphere; Schlenk technique; | 85% |
N-(tert-butyloxycarbonyl)-S-methylisothiourea
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 2.5h; | 83% |
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; for 12h; | 82% |
1,4-diisocyanatobutane
N-BOC-1,2-diaminoethane
Conditions | Yield |
---|---|
In chloroform at 20℃; for 1h; | 82% |
1,4-diisocyanatobutane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane for 12h; | 81% |
1,4-diisocyanatobutane
L-alanine methyl ester hydrochloride
methyl (2S)-2-[[4-[[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]amino]butylcarbamoyl]amino]propanoate
Conditions | Yield |
---|---|
With triethylamine In chloroform at 70℃; for 1h; | 81% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 3h; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 8h; | 80% |
Conditions | Yield |
---|---|
In 1,4-dioxane Ambient temperature; | 76% |
1,4-diisocyanatobutane
glycine ethyl ester hydrochloride
methyl 2-[[4-[[(2-methoxy-2-oxo-ethyl)carbamoyl]amino]butylcarbamoyl]amino]acetate
Conditions | Yield |
---|---|
With triethylamine In chloroform at 70℃; for 18h; | 76% |
1,4-diisocyanatobutane
2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine
Conditions | Yield |
---|---|
With triethylamine In chloroform at 20℃; for 0.166667h; Cooling with ice; | 76% |
Conditions | Yield |
---|---|
Stage #1: 1,4-diisocyanatobutane; phenol With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #2: hexan-1-amine In dichloromethane for 0.5h; | 75% |
The CAS register number of Butane,1,4-diisocyanato- is 4538-37-8. It also can be called as Butylenediisocyanate and the IUPAC name about this chemical is 1,4-diisocyanatobutane. The molecular formula about this chemical is C6H8N2O2 and the molecular weight is 140.14.
Physical properties about Butane,1,4-diisocyanato- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.25; (5)ACD/BCF (pH 7.4): 31.25; (6)ACD/KOC (pH 5.5): 408.93; (7)ACD/KOC (pH 7.4): 408.93; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 58.86 Å2; (11)Index of Refraction: 1.483; (12)Molar Refractivity: 38 cm3; (13)Molar Volume: 132.9 cm3; (14)Polarizability: 15.06x10-24cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.05 g/cm3; (17)Flash Point: 106.7 °C; (18)Enthalpy of Vaporization: 45.69 kJ/mol; (19)Boiling Point: 220.5 °C at 760 mmHg; (20)Vapour Pressure: 0.113 mmHg at 25 °C.
Uses of Butane,1,4-diisocyanato-: it can be used to produce C14H14N12O4 with 3-Diazopyrazol-4-carboxamid. This reaction will need solvent of dimethylsulfoxide. The reaction time is 12 hours with reaction temperature of 25 °C. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause damage to health. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If it stains your clothing, take off immediately all contaminated clothing. If you want to store it, you should keep the container tightly sealed in dry, cool places with protection gas of N2. It can reacts with strong oxidizing agents and ethyl alcohol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N/CCCC/N=C=O
(2)InChI: InChI=1/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
(3)InChIKey: OVBFMUAFNIIQAL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
(5)Std. InChIKey: OVBFMUAFNIIQAL-UHFFFAOYSA-N
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