Product Name

  • Name

    Olanzapine

  • EINECS 200-835-2
  • CAS No. 132539-06-1
  • Article Data57
  • CAS DataBase
  • Density 1.32 g/cm3
  • Solubility
  • Melting Point 195 °C
  • Formula C17H20N4S
  • Boiling Point 476.035 °C at 760 mmHg
  • Molecular Weight 312.439
  • Flash Point 241.697 °C
  • Transport Information
  • Appearance yellowish crystalline powder
  • Safety 26-36/37-16
  • Risk Codes 36/38-36-20/21/22-11
  • Molecular Structure Molecular Structure of 132539-06-1 (Olanzapine)
  • Hazard Symbols Xi,Xn,F
  • Synonyms 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine;Olansek;10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-;Symbyax;Zyprexa (TN);Olanzapine [USAN:INN];2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine;Olanzapine;
  • PSA 59.11000
  • LogP 2.88860

Synthetic route

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine acetic acid monosolvate

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine acetic acid monosolvate

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
at 65 - 70℃; for 18h; Vacuo;100%
N-desmethyl olanzapine
161696-76-0

N-desmethyl olanzapine

methyl iodide
74-88-4

methyl iodide

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
109-01-3

1-methyl-piperazine

4-amino-2-methyl-10H-thiene [2,3-b][1,5]-benzodiazepine hydrochloride

4-amino-2-methyl-10H-thiene [2,3-b][1,5]-benzodiazepine hydrochloride

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
In ethanol; dimethyl sulfoxide at 100 - 130℃; Solvent; Temperature;92.5%
In dimethyl sulfoxide at 100 - 120℃; for 8h;84.2%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine
612503-08-9

2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
109-01-3

1-methyl-piperazine

4-amino-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine hydrochloride

4-amino-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine hydrochloride

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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%
olanzapinium oxalate

olanzapinium oxalate

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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;
2,4-bis(4-methyl-1-piperazinyl)-3-propylidene-3H-[1,5]benzodiazepine

2,4-bis(4-methyl-1-piperazinyl)-3-propylidene-3H-[1,5]benzodiazepine

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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%
dimethyl sulfate
77-78-1

dimethyl sulfate

N-desmethyl olanzapine
161696-76-0

N-desmethyl olanzapine

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
109-01-3

1-methyl-piperazine

2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile
138564-59-7

2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
With hydrogen In mesytilene at 160℃; for 48h; chemoselective reaction;54%
N-{5-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]thien-2-yl}-N-(2-nitrophenyl)amine

N-{5-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]thien-2-yl}-N-(2-nitrophenyl)amine

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
With tributylphosphine at 220℃; for 48h;41%
Olanzapine N-Oxide

Olanzapine N-Oxide

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
765244-26-6

10-Benzyl-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
With hydrogenchloride; acetic acid In water at 60℃; for 6 - 6.5h;20%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile
138564-59-7

2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile

A

zyprexa
132539-06-1

zyprexa

B

2-methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-one

2-methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-one

Conditions
ConditionsYield
With hydrogen In mesytilene at 160℃; for 24h; chemoselective reaction;A 20%
B 25 %Chromat.
ortho-nitrofluorobenzene
1493-27-2

ortho-nitrofluorobenzene

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
138564-59-7

2-(2-nitroanilino)-5-methylthiophene-3-carbonitrile

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
138564-58-6

2-amino-5-methylthiophene-3-carbonitrile

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
2-methyl-10-(4-methyl-1-piperazinyl)-4H-thieno[2,3-b][1,5]benzodiazepine dihydrate

2-methyl-10-(4-methyl-1-piperazinyl)-4H-thieno[2,3-b][1,5]benzodiazepine dihydrate

zyprexa
132539-06-1

zyprexa

Reaxys ID: 12045368

Reaxys ID: 12045368

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
With silica gel In dichloromethane at 0℃; for 0.0833333h; Purification / work up;
C4H10O*2C17H20N4S

C4H10O*2C17H20N4S

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
at 65℃; for 2.5h;
olanzapine monohydrate
402586-77-0

olanzapine monohydrate

zyprexa
132539-06-1

zyprexa

olanzapine methylene chloride hemisolvate

olanzapine methylene chloride hemisolvate

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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;
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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;
olanzapine-CH2Cl2-water

olanzapine-CH2Cl2-water

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
In dichloromethane Product distribution / selectivity;
olanzapine-DMSO-water

olanzapine-DMSO-water

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
In dichloromethane Product distribution / selectivity;
1-methyl-piperazine
109-01-3

1-methyl-piperazine

2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile
873895-41-1

2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
109-01-3

1-methyl-piperazine

2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile
873895-41-1

2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile

1-methylpiperazine hydrochloride
34352-59-5, 50398-09-9, 51545-09-6

1-methylpiperazine hydrochloride

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
at 120℃; Product distribution / selectivity;
at 120℃; Product distribution / selectivity;
at 120℃; Product distribution / selectivity;
at 120℃; Product distribution / selectivity;
olanzapine tetrahydrofuran water solvate

olanzapine tetrahydrofuran water solvate

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
at 40℃; under 1 - 20 Torr; for 4 - 10h; Product distribution / selectivity; vacuum drying;
1-methyl-piperazine
109-01-3

1-methyl-piperazine

dimethyl sulfoxide
67-68-5

dimethyl sulfoxide

4-amino-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine hydrochloride

4-amino-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine hydrochloride

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
72242-31-0

5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester

zyprexa
132539-06-1

zyprexa

Conditions
ConditionsYield
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
132539-06-1

zyprexa

2-methyl-10-(4-methyl-1-piperazinyl)-4H-thieno[2,3-b][1,5]benzodiazepine dihydrate

2-methyl-10-(4-methyl-1-piperazinyl)-4H-thieno[2,3-b][1,5]benzodiazepine dihydrate

Conditions
ConditionsYield
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
132539-06-1

zyprexa

olanzapine sesquihydrate

olanzapine sesquihydrate

Conditions
ConditionsYield
Stage #1: zyprexa With hydrogenchloride; water
Stage #2: With sodium hydroxide; water at 0℃; for 0.5h; pH=8.5;
100%
zyprexa
132539-06-1

zyprexa

aspirin
50-78-2

aspirin

C7H6O3*C17H20N4S
929209-00-7

C7H6O3*C17H20N4S

Conditions
ConditionsYield
In methanol for 24h; Product distribution / selectivity;99%
zyprexa
132539-06-1

zyprexa

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]-benzodiazepine monohydrochloride

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]-benzodiazepine monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water; acetonitrile Heating / reflux;98.5%
With hydrogenchloride In Isopropyl acetate; water
zyprexa
132539-06-1

zyprexa

2-methyl-4-(4-methyl-piperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine dihydrochloride

2-methyl-4-(4-methyl-piperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine dihydrochloride

Conditions
ConditionsYield
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%
zyprexa
132539-06-1

zyprexa

Pamoic acid
130-85-8

Pamoic acid

olanzapine pamoate monohydrate

olanzapine pamoate monohydrate

Conditions
ConditionsYield
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;
maleic acid
110-16-7

maleic acid

zyprexa
132539-06-1

zyprexa

olanzapinium monomaleate
861390-74-1

olanzapinium monomaleate

Conditions
ConditionsYield
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;
maleic acid
110-16-7

maleic acid

zyprexa
132539-06-1

zyprexa

olanzapinium dimaleate

olanzapinium dimaleate

Conditions
ConditionsYield
In methanol for 24h; Product distribution / selectivity;88%
In methanol for 24h; Product distribution / selectivity;44%
In acetonitrile for 0.25h;
(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

zyprexa
132539-06-1

zyprexa

olanzapine fumarate

olanzapine fumarate

Conditions
ConditionsYield
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;
tetrahydrofuran
109-99-9

tetrahydrofuran

zyprexa
132539-06-1

zyprexa

olanzapine tetrahydrofuran water solvate

olanzapine tetrahydrofuran water solvate

Conditions
ConditionsYield
With water at 0 - 50℃; for 2.5h; Product distribution / selectivity;85%
With water at 5℃; Heating / reflux;
(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

zyprexa
132539-06-1

zyprexa

3C4H4O4*C17H20N4S

3C4H4O4*C17H20N4S

Conditions
ConditionsYield
In methanol for 4h;84%
acetonitrile
75-05-8

acetonitrile

zyprexa
132539-06-1

zyprexa

2,10-Dimethyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine
155817-84-8

2,10-Dimethyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine

Conditions
ConditionsYield
With 18-crown-6 ether; carbon dioxide at 80℃; under 750.075 Torr; for 72h; Inert atmosphere; Schlenk technique; Glovebox;83%
zyprexa
132539-06-1

zyprexa

salicylic acid
69-72-7

salicylic acid

C7H6O3*C17H20N4S
929209-00-7

C7H6O3*C17H20N4S

Conditions
ConditionsYield
In methanol for 24h; Product distribution / selectivity;82%
zyprexa
132539-06-1

zyprexa

Olanzapine N-Oxide

Olanzapine N-Oxide

Conditions
ConditionsYield
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
64-19-7

acetic acid

zyprexa
132539-06-1

zyprexa

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine acetic acid monosolvate

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine acetic acid monosolvate

Conditions
ConditionsYield
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;
3-chloro-benzenecarboperoxoic acid
937-14-4

3-chloro-benzenecarboperoxoic acid

zyprexa
132539-06-1

zyprexa

olanzapine N-oxide-m-chlorobenzoate

olanzapine N-oxide-m-chlorobenzoate

Conditions
ConditionsYield
In chloroform at 23℃; for 0.166667h; Inert atmosphere;78%
(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

zyprexa
132539-06-1

zyprexa

2C4H4O4*C17H20N4S

2C4H4O4*C17H20N4S

Conditions
ConditionsYield
In methanol for 22h;74%
carbonochloridic acid, chloromethyl ester
22128-62-7

carbonochloridic acid, chloromethyl ester

zyprexa
132539-06-1

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
1443629-16-0

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
ConditionsYield
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
132539-06-1

zyprexa

olanzapine trihydrate

olanzapine trihydrate

Conditions
ConditionsYield
Stage #1: zyprexa With water; acetic acid at 20℃;
Stage #2: With ammonia; water at 20℃; pH=9.75;
68.5%

Olanzapine Specification

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.

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View