isocyanic acid
1,3-bis(1-methylethenyl)-benzene
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With monoammonium para-toluenesulfonate In toluene |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
In chloroform-d1 at 20℃; for 12h; Equilibrium constant; | |
Multi-step reaction with 3 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 360 h / 20 °C 3: chloroform-d1 / 16 h / 37 °C View Scheme |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 16 h / 37 °C View Scheme |
Conditions | Yield |
---|---|
In chloroform-d1 at 37℃; for 16h; |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-amino-4-hydroxy-2-(2'-hydroxyethoxy)-anthraquinone
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 90℃; for 2h; Heating / reflux; | 100% |
2,7,9,14-tetraoxo-3,6,10,13-tetraoxa-1(1),8(1,4),15(1)-tribenzena-pentadecaphane-14,154-dicarboxylic acid bis-(2-hydroxy-ethyl ester)
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C58H60N2O16
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
Bis(2-Hydroxyethyl)terephthalat
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C38H44N2O8
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
bis(2-hydroxy ethyl terephthaloyl) ethylene
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C48H52N2O12
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethanesulfonyl)imide
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 60℃; for 3h; | 98.37% |
methanol
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
m-isopropenyl-α,α-dimethylbenzyl carbamic acid methyl ester
Conditions | Yield |
---|---|
With dibutyltin dilaurate at 40 - 60℃; for 4h; | 98% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-amino-4-hydroxy-2-[2'-[4'-(2'-hydroxyethoxy)phenoxy]ethoxy]anthraquinone
Conditions | Yield |
---|---|
Stage #1: 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene; 1-amino-4-hydroxy-2-[2'-[4'-(2'-hydroxyethoxy)phenoxy]ethoxy]anthraquinone; dibutyltin dilaurate In toluene at 60 - 95℃; for 3.5h; Heating / reflux; Stage #2: Heating / reflux; | 97.5% |
5-hydroxyethyl-4-methylthiazole
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C19H24N2O2S
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 80℃; for 4.16667h; | 97% |
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In tetrahydrofuran at 50℃; | 97% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 95.73% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-Amino-2-methyl-propan-2-ol
Conditions | Yield |
---|---|
In ethyl acetate at 0 - 22℃; for 24h; | 95% |
2-(2-benzothiazolylthio)ethanol
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C22H24N2O2S2
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 80℃; for 4.16667h; | 95% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
(R)-quinuclidin-3-ol
(R)-quinuclidin-3-yl 2-(3-(prop-1-en-2-yl)phenyl)propan-2-ylcarbamate
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.75h; | 95% |
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In tetrahydrofuran at 40℃; | 95% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 94.45% |
isocyanic acid
1,3-bis(1-methylethenyl)-benzene
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With monoammonium para-toluenesulfonate In toluene |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
In chloroform-d1 at 20℃; for 12h; Equilibrium constant; | |
Multi-step reaction with 3 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 360 h / 20 °C 3: chloroform-d1 / 16 h / 37 °C View Scheme |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform-d1 / 360 h / 20 °C 2: chloroform-d1 / 16 h / 37 °C View Scheme |
Conditions | Yield |
---|---|
In chloroform-d1 at 37℃; for 16h; |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-amino-4-hydroxy-2-(2'-hydroxyethoxy)-anthraquinone
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 90℃; for 2h; Heating / reflux; | 100% |
2,7,9,14-tetraoxo-3,6,10,13-tetraoxa-1(1),8(1,4),15(1)-tribenzena-pentadecaphane-14,154-dicarboxylic acid bis-(2-hydroxy-ethyl ester)
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C58H60N2O16
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
Bis(2-Hydroxyethyl)terephthalat
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C38H44N2O8
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
bis(2-hydroxy ethyl terephthaloyl) ethylene
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C48H52N2O12
Conditions | Yield |
---|---|
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere; | 100% |
2-hydroxy-N,N,N-trimethylethan-1-aminium bis((trifluoromethyl)sulfonyl)azanide
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 60℃; for 3h; | 98.37% |
methanol
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
m-isopropenyl-α,α-dimethylbenzyl carbamic acid methyl ester
Conditions | Yield |
---|---|
With dibutyltin dilaurate at 40 - 60℃; for 4h; | 98% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-amino-4-hydroxy-2-[2'-[4'-(2'-hydroxyethoxy)phenoxy]ethoxy]anthraquinone
Conditions | Yield |
---|---|
Stage #1: 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene; 1-amino-4-hydroxy-2-[2'-[4'-(2'-hydroxyethoxy)phenoxy]ethoxy]anthraquinone; dibutyltin dilaurate In toluene at 60 - 95℃; for 3.5h; Heating / reflux; Stage #2: Heating / reflux; | 97.5% |
5-hydroxyethyl-4-methylthiazole
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C19H24N2O2S
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 80℃; for 4.16667h; | 97% |
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In tetrahydrofuran at 50℃; | 97% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 95.73% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-Amino-2-methyl-propan-2-ol
Conditions | Yield |
---|---|
In ethyl acetate at 0 - 22℃; for 24h; | 95% |
2-(2-benzothiazolylthio)ethanol
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
C22H24N2O2S2
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 80℃; for 4.16667h; | 95% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
(R)-quinuclidin-3-ol
(R)-quinuclidin-3-yl 2-(3-(prop-1-en-2-yl)phenyl)propan-2-ylcarbamate
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.75h; | 95% |
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In tetrahydrofuran at 40℃; | 95% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 94.45% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 3h; | 94.4% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
platinum divinyltetramethyldisiloxane In tetrahydrofuran for 48h; Heating; | 94% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
2,2'-[1,2-ethanediylbis(oxy)]bisethanol
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In tetrahydrofuran at 45℃; | 93% |
Conditions | Yield |
---|---|
dibutyltin dilaurate In toluene at 90 - 100℃; for 1.25h; | 92% |
1-(2-hydroxyethyl)pyridinium bis(trifluoromethanesulfonyl)azanide
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 92% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With dibutyltin(II) dilaurate In acetonitrile at 60℃; for 5h; | 91.45% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
2-hydroxyethanethiol
A
C15H21NO2S
B
C15H21NO2S
Conditions | Yield |
---|---|
With triethylamine In toluene at 50 - 78℃; for 3h; Inert atmosphere; | A 91% B 9% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
trans-4-aminocyclohexanol hydrochloride
trans-1-(4-hydroxy-cycIohexyl)-3-[1-(3-isopropenyl)-1-methyl-ethyl]-urea
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; | 89% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
4-chloro-m-anisidine
1-(4-chloro-3-methoxyphenyl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
Conditions | Yield |
---|---|
In dichloromethane at 0℃; Inert atmosphere; | 89% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 60℃; for 3h; | 87.6% |
4-tert-Butylaniline
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
1-(4-(tert-butyl)phenyl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
Conditions | Yield |
---|---|
In dichloromethane at 0℃; Inert atmosphere; | 87% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
Conditions | Yield |
---|---|
With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride In tetrahydrofuran; 2-methyltetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere; chemoselective reaction; | 87% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; | 85% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
4-methoxy-aniline
1-(4-methoxyphenyl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
Conditions | Yield |
---|---|
In dichloromethane at 0℃; Inert atmosphere; | 85% |
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
3-chloro-aniline
1-(3-chlorophenyl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
Conditions | Yield |
---|---|
In dichloromethane at 0℃; Inert atmosphere; | 83% |
1. | orl-rat LD50:3410 mg/kg | JACTDZ Journal of the American College of Toxicology. 1 (1990),43. | ||
2. | ihl-gpg LC50:750 mg/m3/1H | JACTDZ Journal of the American College of Toxicology. 1 (1990),43. |
Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)BENZENE's Risk Statements:
26: Very Toxic by inhalation
34: Causes burns
42/43: May cause sensitization by inhalation and skin contact
48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
1-(1-ISOCYANATO-1-METHYLETHYL)-3-(1-METHYLETHENYL)BENZENE's Safety Statements:
7: Keep container tightly closed
15: Keep away from heat
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
38: In case of insufficient ventilation, wear suitable respiratory equipment
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Hazard Codes:T+,N
RIDADR:UN 2206 6.1/PG 3
HazardClass:6.1(a)
PackingGroup:II
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