zyprexa
Conditions | Yield |
---|---|
at 65 - 70℃; for 18h; Vacuo; | 100% |
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran at 0℃; for 2h; Product distribution / selectivity; | 99% |
With sodium hydride In tetrahydrofuran at -10℃; for 3h; Product distribution / selectivity; | 98% |
With sodium hydroxide In tetrahydrofuran at -15℃; for 4h; Product distribution / selectivity; | 98% |
With triethylamine In tetrahydrofuran at -10℃; for 4h; Product distribution / selectivity; | 82% |
1-methyl-piperazine
zyprexa
Conditions | Yield |
---|---|
In ethanol; dimethyl sulfoxide at 100 - 130℃; Solvent; Temperature; | 92.5% |
In dimethyl sulfoxide at 100 - 120℃; for 8h; | 84.2% |
1-methyl-piperazine
2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine
zyprexa
Conditions | Yield |
---|---|
In propan-1-ol at 110℃; Product distribution / selectivity; Heating / reflux; | 89% |
In iso-butanol at 118℃; Product distribution / selectivity; Heating / reflux; | 84% |
In isopropyl alcohol at 100 - 102℃; Product distribution / selectivity; Heating / reflux; | 80% |
1-methyl-piperazine
zyprexa
Conditions | Yield |
---|---|
at 125 - 145℃; for 5 - 12h; Product distribution / selectivity; Neat (no solvent); | 84% |
at 120℃; for 5h; | 83.8% |
In dimethyl sulfoxide at 112 - 115℃; for 16h; | 82% |
zyprexa
Conditions | Yield |
---|---|
With sodium hydroxide In water pH=9; | 72.6% |
With sodium hydroxide In water pH=8 - 10; | |
With sodium hydroxide In water pH=9 - 10; Product distribution / selectivity; |
zyprexa
Conditions | Yield |
---|---|
With quinoline p-toluenesulfonate; sulfur In benzonitrile at 140℃; for 13.5h; | 69.5% |
With pyridinium p-toluenesulfonate; sulfur In benzonitrile at 140℃; for 13.5h; | 66.6% |
With sulfur; 1-methyl-imidazolium p-toluenesulfonic acid In benzonitrile at 140℃; for 10h; | 54.2% |
With toluene-4-sulfonic acid; sulfur In benzonitrile at 140℃; for 9h; | 51.7% |
With sulfur; triethylamine In propan-1-ol; dimethyl sulfoxide at 100℃; for 120h; | 12% |
Conditions | Yield |
---|---|
With potassium carbonate In methanol at 25℃; for 2h; Product distribution / selectivity; | 60% |
With potassium carbonate In acetone at -10℃; for 4h; Product distribution / selectivity; | 46% |
Stage #1: dimethyl sulfate; N-desmethyl olanzapine With sodium hydroxide In methanol at 0 - 5℃; Stage #2: With water In methanol Product distribution / selectivity; | |
Stage #1: dimethyl sulfate; N-desmethyl olanzapine With sodium hydroxide In methanol; dichloromethane at 0 - 5℃; Stage #2: With water In methanol; dichloromethane Product distribution / selectivity; | |
Stage #1: dimethyl sulfate; N-desmethyl olanzapine With sodium hydroxide; potassium carbonate In tetrahydrofuran; water at 10 - 30℃; for 7.5 - 8.5h; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 50℃; |
1-methyl-piperazine
2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile
zyprexa
Conditions | Yield |
---|---|
With hydrogen In mesytilene at 160℃; for 48h; chemoselective reaction; | 54% |
zyprexa
Conditions | Yield |
---|---|
With tributylphosphine at 220℃; for 48h; | 41% |
zyprexa
Conditions | Yield |
---|---|
With osmium(VIII) oxide; (2E)-3-phenyl-2-propen-1-ol In water; tert-butyl alcohol at 20℃; for 19h; Inert atmosphere; | 30% |
10-Benzyl-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
zyprexa
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In water at 60℃; for 6 - 6.5h; | 20% |
1-methyl-piperazine
2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile
A
zyprexa
Conditions | Yield |
---|---|
With hydrogen In mesytilene at 160℃; for 24h; chemoselective reaction; | A 20% B 25 %Chromat. |
ortho-nitrofluorobenzene
zyprexa
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 23 percent / NaH / tetrahydrofuran; various solvent(s) / 24 h / 25 °C 2: 65 percent / SnCl2; conc. HCl / ethanol / 1.5 h / Heating 3: 65 percent / dimethylsulfoxide; toluene / 24 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: LiOH / dimethylsulfoxide 2: SnCl2 / ethanol 3: toluene; dimethylsulfoxide View Scheme |
2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile
zyprexa
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 65 percent / SnCl2; conc. HCl / ethanol / 1.5 h / Heating 2: 65 percent / dimethylsulfoxide; toluene / 24 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: SnCl2 / ethanol 2: toluene; dimethylsulfoxide View Scheme | |
Multi-step reaction with 2 steps 1: tin(II) chloride dihdyrate; hydrogenchloride / ethanol; water / 1 h / Reflux 2: dimethyl sulfoxide; toluene / 20 h / Reflux; Inert atmosphere View Scheme | |
Multi-step reaction with 3 steps 1: iron(III)-acetylacetonate; hydrazine hydrate / ethanol / 0.08 h / 150 °C / Sealed tube 2: hydrogenchloride / ethanol; water; ethyl acetate / 0.17 h / 120 °C / Sealed tube 3: 0.5 h / 160 °C / Sealed tube View Scheme |
2-amino-5-methylthiophene-3-carbonitrile
zyprexa
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 23 percent / NaH / tetrahydrofuran; various solvent(s) / 24 h / 25 °C 2: 65 percent / SnCl2; conc. HCl / ethanol / 1.5 h / Heating 3: 65 percent / dimethylsulfoxide; toluene / 24 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: LiOH / dimethylsulfoxide 2: SnCl2 / ethanol 3: toluene; dimethylsulfoxide View Scheme | |
Multi-step reaction with 3 steps 1: sodium hydride / tetrahydrofuran; mineral oil / 18 h / 20 °C / Inert atmosphere; Cooling with ice 2: tin(II) chloride dihdyrate; hydrogenchloride / ethanol; water / 1 h / Reflux 3: dimethyl sulfoxide; toluene / 20 h / Reflux; Inert atmosphere View Scheme | |
Multi-step reaction with 4 steps 1: palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene; ethyl acetate / 0.17 h / 130 °C / Sealed tube 2: iron(III)-acetylacetonate; hydrazine hydrate / ethanol / 0.08 h / 150 °C / Sealed tube 3: hydrogenchloride / ethanol; water; ethyl acetate / 0.17 h / 120 °C / Sealed tube 4: 0.5 h / 160 °C / Sealed tube View Scheme |
zyprexa
zyprexa
Conditions | Yield |
---|---|
With silica gel In dichloromethane at 0℃; for 0.0833333h; Purification / work up; |
zyprexa
Conditions | Yield |
---|---|
at 65℃; for 2.5h; |
olanzapine monohydrate
zyprexa
zyprexa
Conditions | Yield |
---|---|
In isopropyl alcohol at 20℃; for 0.5 - 1h; Product distribution / selectivity; | |
Stage #1: olanzapine methylene chloride hemisolvate at 50℃; for 12h; Stage #2: In isopropyl alcohol at 20℃; for 0.333333h; Product distribution / selectivity; |
zyprexa
Conditions | Yield |
---|---|
Stage #1: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate at 50℃; for 16h; Stage #2: In isopropyl alcohol at 20℃; for 0.25h; Product distribution / selectivity; |
zyprexa
Conditions | Yield |
---|---|
In dichloromethane Product distribution / selectivity; |
zyprexa
Conditions | Yield |
---|---|
In dichloromethane Product distribution / selectivity; |
1-methyl-piperazine
2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile
zyprexa
Conditions | Yield |
---|---|
With acetic acid at 120℃; Product distribution / selectivity; | |
With acetic acid at 120℃; Product distribution / selectivity; | |
With platinum doped titanium oxide; hydrogen In mesytilene at 140℃; for 24h; | 24 %Chromat. |
1-methyl-piperazine
2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile
1-methylpiperazine hydrochloride
zyprexa
Conditions | Yield |
---|---|
at 120℃; Product distribution / selectivity; | |
at 120℃; Product distribution / selectivity; | |
at 120℃; Product distribution / selectivity; | |
at 120℃; Product distribution / selectivity; |
zyprexa
Conditions | Yield |
---|---|
at 40℃; under 1 - 20 Torr; for 4 - 10h; Product distribution / selectivity; vacuum drying; |
Conditions | Yield |
---|---|
In water; toluene | |
In water; toluene | |
In water; toluene | |
In water; toluene | |
In water; toluene |
5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester
zyprexa
Conditions | Yield |
---|---|
With ammonia; palladium on charcoal catalyst; titanium tetrachloride In 1-methyl-piperazine; ethanol ethyl acetate; ethyl acetate; methoxybenzene; isopropyl alcohol | |
With ammonia; palladium on charcoal catalyst; titanium tetrachloride In 1-methyl-piperazine; ethanol ethyl acetate; ethyl acetate; methoxybenzene; isopropyl alcohol |
zyprexa
Conditions | Yield |
---|---|
With water In dimethyl sulfoxide at 0 - 80℃; for 48h; | 100% |
With water In 1,3-dioxane at 0 - 80℃; | 93.5% |
With water In acetone at 0 - 80℃; | 87.5% |
With water In ethyl acetate; toluene at 20 - 60℃; for 1.5h; | 63.3% |
In water at 30 - 35℃; for 0.5h; |
zyprexa
Conditions | Yield |
---|---|
Stage #1: zyprexa With hydrogenchloride; water Stage #2: With sodium hydroxide; water at 0℃; for 0.5h; pH=8.5; | 100% |
Conditions | Yield |
---|---|
In methanol for 24h; Product distribution / selectivity; | 99% |
zyprexa
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetonitrile Heating / reflux; | 98.5% |
With hydrogenchloride In Isopropyl acetate; water |
zyprexa
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane at 0℃; for 0.166667h; | 97% |
With hydrogenchloride In ethyl acetate at 0℃; for 0.166667h; | 97% |
With hydrogenchloride In isopropyl alcohol at 0℃; for 0.166667h; | 97% |
Conditions | Yield |
---|---|
Stage #1: Pamoic acid With ammonium hydroxide In water Stage #2: zyprexa With hydrogenchloride; water at 25 - 30℃; Reagent/catalyst; | 97% |
Stage #1: zyprexa; Pamoic acid In dimethyl sulfoxide at 20 - 25℃; for 0.333333h; Stage #2: With water In dimethyl sulfoxide at 20 - 40℃; for 1.16667h; |
Conditions | Yield |
---|---|
In ethanol for 24h; Product distribution / selectivity; | 88% |
In hexane for 24h; Product distribution / selectivity; | 83% |
In 1,4-dioxane for 24h; Product distribution / selectivity; | 75% |
In acetonitrile for 0.25h; |
Conditions | Yield |
---|---|
In methanol for 24h; Product distribution / selectivity; | 88% |
In methanol for 24h; Product distribution / selectivity; | 44% |
In acetonitrile for 0.25h; |
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 0 - 30℃; for 3h; Product distribution / selectivity; | 85.2% |
In methanol; dichloromethane; water at 0 - 25℃; for 3h; Product distribution / selectivity; | 65.7% |
In isopropyl alcohol at 0 - 25℃; for 2h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
With water at 0 - 50℃; for 2.5h; Product distribution / selectivity; | 85% |
With water at 5℃; Heating / reflux; |
Conditions | Yield |
---|---|
In methanol for 4h; | 84% |
acetonitrile
zyprexa
2,10-Dimethyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine
Conditions | Yield |
---|---|
With 18-crown-6 ether; carbon dioxide at 80℃; under 750.075 Torr; for 72h; Inert atmosphere; Schlenk technique; Glovebox; | 83% |
Conditions | Yield |
---|---|
In methanol for 24h; Product distribution / selectivity; | 82% |
zyprexa
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 12℃; for 12h; | 79.1% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane | |
With α-D-glucose 6-phosphate; glucose phosphate dehydrogenase; human cytochrome P450 (CYP) 2D6.10, recombinant; NADP In aq. phosphate buffer at 37℃; for 0.75h; Kinetics; Reagent/catalyst; Enzymatic reaction; |
acetic acid
zyprexa
Conditions | Yield |
---|---|
In ethyl acetate at 4 - 20℃; Product distribution / selectivity; | 79% |
In acetone at 4 - 20℃; Product distribution / selectivity; | 56% |
In dimethyl sulfoxide at 4℃; for 4h; Product distribution / selectivity; | |
In isopropyl alcohol Product distribution / selectivity; |
Conditions | Yield |
---|---|
In chloroform at 23℃; for 0.166667h; Inert atmosphere; | 78% |
Conditions | Yield |
---|---|
In methanol for 22h; | 74% |
carbonochloridic acid, chloromethyl ester
zyprexa
chloromethyl 2-methyl-4-(4-methyl(y)pi(y)perazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diaze(y)pine-5-carboxylate
Conditions | Yield |
---|---|
Stage #1: zyprexa With triethylamine In dichloromethane at 5 - 35℃; Stage #2: carbonochloridic acid, chloromethyl ester In dichloromethane at 5 - 25℃; for 1.08333h; regioselective reaction; | 73% |
With triethylamine In dichloromethane at 5 - 35℃; for 0.833333h; | 73% |
Stage #1: zyprexa With triethylamine In dichloromethane at 35℃; Stage #2: carbonochloridic acid, chloromethyl ester at 5 - 20℃; for 1.08333h; | 73% |
With triethylamine In dichloromethane at 20℃; for 0.75h; | 73% |
With triethylamine In dichloromethane at 5 - 35℃; for 1.08333h; | 73% |
zyprexa
Conditions | Yield |
---|---|
Stage #1: zyprexa With water; acetic acid at 20℃; Stage #2: With ammonia; water at 20℃; pH=9.75; | 68.5% |
The Olanzapine, with the CAS registry number 132539-06-1,is also known as 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; Lanzac; Zyprexa. It belongs to the product categories of Active Pharmaceutical Ingredients;APIs;Olanzapine;Intermediates & Fine Chemicals. This chemical's molecular formula is C17H20N4S and molecular weight is 312.43. What's more,Its systematic name is 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-.It is a yellow crystalline powder which is a benzothiazepine.
Physical properties about Olanzapine are:
(1)ACD/LogP: 3.076; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 23.98; (7)ACD/KOC (pH 5.5): 2.50; (8)ACD/KOC (pH 7.4): 210.04; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 92.156 cm3; (14)Molar Volume: 235.993 cm3; (15)Surface Tension: 52.015998840332 dyne/cm; (16)Density: 1.324 g/cm3; (17)Flash Point: 241.697 °C; (18)Enthalpy of Vaporization: 73.967 kJ/mol; (19)Boiling Point: 476.035 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:N=1c4c(N\C(=C/2\C=C(/SC=1\2)C)N3CCN(C)CC3)cccc4;
(2)Std. InChI:InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3;
(3)Std. InChIKey:WXPNDRBBWZMPQG-UHFFFAOYSA-N.
The toxicity data of Olanzapine are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TDLo | oral | 16560ug/kg/12 (16.56mg/kg) | Journal of Clinical Psychiatry. Vol. 60, Pg. 767, 1999. | |
human | TDLo | oral | 16560ug/kg/12 (16.56mg/kg) | BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" | Journal of Clinical Psychiatry. Vol. 60, Pg. 767, 1999. |
human | TDLo | oral | 43mg/kg/30W-I (43mg/kg) | Journal of Clinical Pyschopharmacology. Vol. 19, Pg. 273, 1999. | |
man | LDLo | oral | 7067ug/kg (7.067mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)" | Journal of Forensic Sciences. Vol. 41, Pg. 1252, 1998. |
man | TDLo | oral | 2570ug/kg/12D (2.57mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC | Journal of Clinical Pyschopharmacology. Vol. 19, Pg. 192, 1999. |
women | LDLo | oral | 30mg/kg/22W-I (30mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Annals of Pharmacotherpy. Vol. 33, Pg. 787, 1999. |
women | TDLo | oral | 400ug/kg (.4mg/kg) | American Journal of Psychiatry. Vol. 156, Pg. 1835, 1999. | |
women | TDLo | oral | 400ug/kg (.4mg/kg) | VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION BEHAVIORAL: REGIDITY | American Journal of Psychiatry. Vol. 156, Pg. 1835, 1999. |
women | TDLo | oral | 12mg/kg (12mg/kg) | BEHAVIORAL: COMA CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE | Annals of Emergency Medicine. Vol. 32, Pg. 275, 1998. |
women | TDLo | oral | 12mg/kg/60D-I (12mg/kg) | BEHAVIORAL: TOXIC PSYCHOSIS | Annals of Internal Medicine. Vol. 131, Pg. 72, 1999. |
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