C14H21NO2
A
1-Phenylethanol
B
1-(2-hydroxypropyl)-4-methyl-2-phenylpyrrole
C
diisopropanolamine
Conditions | Yield |
---|---|
With potassium hydroxide Reflux; | A n/a B 33% C n/a |
methyloxirane
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia |
1-(2-imino-5-methyl-oxazolidin-3-yl)-propan-2-ol
diisopropanolamine
Conditions | Yield |
---|---|
With potassium hydroxide In methanol |
Conditions | Yield |
---|---|
In water at 34.4 - 100℃; Thermodynamic data; Equilibrium constant; ΔH,ΔG, ΔS; |
methyloxirane
A
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia; water | |
With ammonia; water |
Conditions | Yield |
---|---|
With potassium hydroxide In water at 80℃; for 2h; Product distribution / selectivity; | |
With potassium hydroxide In water at 80℃; for 2h; Conversion of starting material; Alkaline aqueous solution; |
4,8-dimethyl-2-phenyl-[1,3,6,2]dioxazaborocane
A
diisopropanolamine
B
phenylboronic acid
Conditions | Yield |
---|---|
With water In 1,4-dioxane; water Kinetics; byproducts: (HOCHMeCH2)2NH; hydrolysis in water/dioxane mixts. of different concns.; |
methyloxirane
A
3-amino-2-propanol
B
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia at 41℃; Temperature; Reagent/catalyst; |
methyloxirane
A
triisopropanolamine
B
3-amino-2-propanol
C
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia at 60℃; Temperature; Reagent/catalyst; |
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine; polyparaformaldehyde (degree of polymerization 200) at 85℃; for 3h; Stage #2: With tri-n-propylamine; hydrogen at 45℃; under 11251.1 - 15001.5 Torr; Temperature; Reagent/catalyst; Solvent; | 99.3% |
(6R,7R)-8-Oxo-3-pentafluorophenyloxycarbonyloxymethyl-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
diisopropanolamine
B
(6R,7R)-3-{[Bis-(2-hydroxy-propyl)-carbamoyloxy]-methyl}-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 1h; -26 deg C up to room temp.; Title compound not separated from byproducts; | A n/a B 95% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 93% |
diisopropanolamine
bis(iminodiisopropanolato-N,O,O')germanium(IV)
Conditions | Yield |
---|---|
In water refluxing (2 h); cooling, addn. (xylene, EtOH), distillation, solvent redn., crystn. on cooling (0-5°C); elem. anal.; | 92% |
Benzilic acid
diisopropanolamine
(α-hydroxydiphenylaceto-O,O')(iminodiisopropanolato-N,O,O')germanium(IV)
Conditions | Yield |
---|---|
In ethanol; water; xylene refluxing (2 h); solvent removal, crystn. on cooling, filtn., drying (vac.); elem. anal.; | 92% |
1-dodecylbromide
diisopropanolamine
N,N'-bis(2-hydroxypropyl)dodecylamine
Conditions | Yield |
---|---|
In ethanol at 80℃; for 12h; | 90.02% |
hexanedioic acid dimethyl ester
diisopropanolamine
N,N,N',N'-tetrakis(β-hydroxypropyl)adipamide
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine With potassium methanolate at 100℃; for 1h; Green chemistry; Stage #2: hexanedioic acid dimethyl ester for 2h; Reagent/catalyst; Green chemistry; | 89.8% |
With potassium methanolate at 100℃; for 4h; Reagent/catalyst; | 157.3 g |
5-Chloro-2-[2-hydroxy-3-tert-butyl-5-(2-methoxycarbonylethyl)-phenyl]-2H-benzotriazole
diisopropanolamine
Conditions | Yield |
---|---|
With sodium carbonate In cyclohexane at 90℃; for 10h; Inert atmosphere; | 89.7% |
diisopropanolamine
Conditions | Yield |
---|---|
With potassium carbonate In octane at 90℃; for 10h; Solvent; Reagent/catalyst; Inert atmosphere; | 88.1% |
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine With sulfuric acid In water at 178 - 183℃; Stage #2: acetic acid In ethyl acetate at 30℃; Temperature; | 87.2% |
1-Bromotetradecane
diisopropanolamine
N,N'-bis(2-hydroxypropyl)tetradecylamine
Conditions | Yield |
---|---|
In ethanol at 80℃; for 12h; | 87.05% |
diisopropanolamine
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine; 4-bromo-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-methoxy-quinolin-6-yl]-amide In N,N-dimethyl-formamide at 20 - 60℃; for 5h; Stage #2: With sodium hydrogencarbonate In water; N,N-dimethyl-formamide | 87% |
With sodium hydrogencarbonate In N-methyl-acetamide | 240.1 mg (87%) |
diisopropanolamine
2-[2'-hydroxy-3'-tert-butyl-5'-(2''-methoxycarbonylethyl)phenyl]-2H-benzotriazole
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine With sodium acetate In cyclohexane for 2h; Reflux; Stage #2: 2-[2'-hydroxy-3'-tert-butyl-5'-(2''-methoxycarbonylethyl)phenyl]-2H-benzotriazole In cyclohexane at 50℃; for 9h; Reflux; | 85.2% |
Stage #1: diisopropanolamine With sodium acetate In cyclohexane for 2h; Reflux; Stage #2: 2-[2'-hydroxy-3'-tert-butyl-5'-(2''-methoxycarbonylethyl)phenyl]-2H-benzotriazole at 50℃; for 9h; Reflux; | 85.2% |
diisopropanolamine
2,4-Toluene diisocyanate
hyperbranced poly(urea-urethane) copolymer, polycondensation, degree of branching 42.6 percent, Mw 34460; monomer(s): toluene-2,4-diisocyanate; di(2-hydroxypropyl)amine
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 80℃; for 120h; | 85% |
di-tert-butyl dicarbonate
diisopropanolamine
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 15℃; for 12h; | 83% |
2-(3-chloromethyl-benzoylamino)-5-piperidin-1-yl-benzoic acid ethyl ester
diisopropanolamine
2-(3-{[bis-(2-hydroxy-propyl)-amino]-methyl}-benzoylamino)-5-piperidin-1-yl-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 36h; | 82% |
isophorone diisocyanate
diisopropanolamine
hyperbranched poly(urea-urethane) copolymer, polycondensation, degree of branching 45.8 percent, Mw 28680; monomer(s): isophorone diisocyanate; di(2-hydroxypropyl)amine
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 80℃; for 240h; | 81% |
diisopropanolamine
p-toluenesulfonyl chloride
N-tosyl-bis(2-tosyloxy propyl) amine
Conditions | Yield |
---|---|
With hydrogenchloride In pyridine; water | 81% |
diisopropanolamine
di(4-isocyanatophenyl)methane
hyperbranced poly(urea-urethane) copolymer, polycondensation, degree of branching 42.5 percent, Mw 18250; monomer(s): 4,4\-methylenebis(phenyl isocyanate); di(2-hydroxypropyl)amine
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 80℃; for 100h; | 79% |
formaldehyd
2-Methoxy-4-methylphenol
diisopropanolamine
C15H25NO4
Conditions | Yield |
---|---|
In methanol for 72h; Mannich condensation; Reflux; | 75% |
diisopropanolamine
Conditions | Yield |
---|---|
at 0℃; | 73% |
diisopropanolamine
Conditions | Yield |
---|---|
With formic acid ethyl ester at 20℃; | 73% |
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine With sulfuric acid In water at 178 - 183℃; Stage #2: propionic acid In ethyl acetate at 45℃; Temperature; | 72% |
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine With sulfuric acid In water at 178 - 183℃; Stage #2: butyric acid In Isopropyl acetate at 45℃; | 71.02% |
diisopropanolamine
Conditions | Yield |
---|---|
at 25℃; | 71% |
diisopropanolamine
bis(pinacol)diborane
Conditions | Yield |
---|---|
In diethyl ether; dichloromethane at 20℃; for 18h; | 71% |
N-[(1S,2R)-1-[[[(1R)-1-1[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]carbonyl]-2-hydroxypropyl]-6-phenyl-2-pyridinecarboxamide
diisopropanolamine
Conditions | Yield |
---|---|
In tert-butyl methyl ether at 20 - 40℃; for 32h; | 70% |
N-[(1S,2R)-1-[[[(1R)-1-1[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]carbonyl]-2-hydroxypropyl]-6-phenyl-2-pyridinecarboxamide
diisopropanolamine
Conditions | Yield |
---|---|
In tert-butyl methyl ether at 20 - 40℃; for 32h; | 70% |
4-(trifluoromethoxy)benzonitrile
diisopropanolamine
5-methyl-N-(2-hydroxypropyl)-oxazolidin-2-one
Conditions | Yield |
---|---|
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Reagent/catalyst; Inert atmosphere; Irradiation; Sealed tube; | 70% |
Conditions | Yield |
---|---|
In ethanol at 0℃; for 168h; | 67% |
Reported in EPA TSCA Inventory.
The CAS registry number of Diisopropanolamine is 110-97-4. With the EINECS registry number 203-820-9, its IUPAC name is 1-(2-hydroxypropylamino)propan-2-ol. In addition, the molecular formula is C6H15NO2 and the molecular weight is 133.19. What's more, it is a colorless liquid or white to yellow crystalline solid with an odor of dead fish or ammonia. It can be applied in fiber additives, tanning agents, pesticides, cutting oils, coating and wax products.
Physical properties about this chemical are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -3.76; (3)ACD/LogD (pH 7.4): -2.39; (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: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 36.42 cm3; (14)Molar Volume: 132.1 cm3; (15)Polarizability: 14.44 ×10-24cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 126.7 °C; (19)Enthalpy of Vaporization: 57.13 kJ/mol; (20)Boiling Point: 254.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00265 mmHg at 25°C.
Preparation of Diisopropanolamine: The epoxypropane reacts with ammonia to give henisopropanolamine. Then this chemical can be prepared by henisopropanolamine and epoxypropane.
Uses of Diisopropanolamine: it can react with ethane-1,2-diol and silicic acid tetramethyl ester to get 7,11-dimethyl-1,4,6,12-tetraoxa-9-aza-5-silaspiro[4,7]-dodecane. The yield is about 50% by heating.
When you are using this chemical, please be cautious about it as the following:
It is irritating to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CNCC(O)C
(2)Std. InChI: InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
(3)Std. InChIKey: LVTYICIALWPMFW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | skin | > 1gm/kg (1000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986. | |
mouse | LD50 | intraperitoneal | 96mg/kg (96mg/kg) | AUTONOMIC NERVOUS SYSTEM: BETA ADRENERGIC BLOCKAGE | Ain Shams Medical Journal. Vol. 30, Pg. 23, 1979. |
rat | LD50 | oral | 4765mg/kg (4765mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986. |
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