Pseudotropine supplier | CasNO.135-97-7

Name
Pseudotropine
EINECS 205-226-5
CAS No. 135-97-7
Article Data50
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point 109°
Formula C₈H₁₅NO
Boiling Point 233 °C at 760 mmHg
Molecular Weight 141.213
Flash Point 112.5 °C
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1aH,5aH-Tropan-3b-ol (8CI);8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-;Pseudotropine(6CI,7CI);3-Pseudotropanol;3b-Tropanol;NSC 43871;y-Tropine;β-Tropanol; Pseudotropine; Exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;
PSA 23.47000
LogP 0.54180

Synthetic route

: 50-00-0
formaldehyd

: 501-33-7
(1R,3R,5S)-8-azabicyclo[3.2.1]octan-3-ol

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With sodium tetrahydroborate	91%

: 532-24-1
tropinone

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With lithium borohydride In tetrahydrofuran a) -78 deg C, 6 h, b) RT, overnight;	85%
With 2-methyl-propan-1-ol; sodium; toluene
With lithium borohydride In tetrahydrofuran at -78℃;

: 95687-86-8
N-(ethoxycarbonyl)nortropacocaine

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Heating;	67%
With lithium aluminium tetrahydride In tetrahydrofuran for 6h; Heating;	67%

: 4827-85-4
tropinone hydrochloride

A: 85089-40-3
8,8'-dimethyl-3,3'-dihydroxy-3,3'-bi(8-azabicyclo<3.2.1>octyl)

B: 8-methyl-3-hydroxy-3-(1-hydroxy-1-methylethyl)-8-azabicyclo<3.2.1>octane

C: 120-29-6
3-tropanol

D: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With isopropyl alcohol for 22h; Heating; Irradiation; PRK-2 mercury-quartz lamp;	A 5% B 22% C 46% D 32%

...Expand

: 4827-85-4
tropinone hydrochloride

: 67-63-0
isopropyl alcohol

A: 85089-40-3
8,8'-dimethyl-3,3'-dihydroxy-3,3'-bi(8-azabicyclo<3.2.1>octyl)

B: 8-methyl-3-hydroxy-3-(1-hydroxy-1-methylethyl)-8-azabicyclo<3.2.1>octane

C: 120-29-6
3-tropanol

D: 135-97-7
pseudotropine

Conditions

Conditions	Yield
for 22h; Heating; Irradiation; PRK-2 mercury-quartz lamp;	A 5% B 22% C 46% D 32%

...Expand

: 3-iodo-tropane

A: 529-18-0
tropidine

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With hydrogenchloride at 185 - 190℃; im Rohr;

: 532-24-1
tropinone

A: 7432-10-2, 911648-75-4
Tropanol

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
elektrolytischen Reduktion,in alkal.Loesung;
elektrolytischen Reduktion,in alkal.Loesung;weitere Nebenprodukt:Tropan;
With hydrogen iodide; zinc at 0℃; weitere Nebenprodukt:Tropan;

: 532-24-1
tropinone

A: 120-29-6
3-tropanol

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With aluminum isopropoxide; isopropyl alcohol
With sodium tetrahydroborate In ethanol for 1h;	A 91 mg B 519 mg

: 532-24-1
tropinone

A: 85089-40-3
8,8'-dimethyl-3,3'-dihydroxy-3,3'-bi(8-azabicyclo<3.2.1>octyl)

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With sodium amalgam

: 7432-10-2, 911648-75-4
Tropanol

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
elektrolytischen Oxydation in saurer oder swach alkalischer Loesung;arbeitet ohne Diaphragma an der Kathode;

: 32663-70-0, 32663-71-1, 35772-43-1
tropane-3exo-ol-8-oxide

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With sulfur dioxide

: 532-24-1
tropinone

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With potassium phosphate buffer; 2-aminoethanoic acid hydrochloride; tris hydrochloride; NADPH; tropinone reductase enzym for 2h;

: 55-48-1, 300-40-3, 620-61-1, 1867-24-9, 2472-17-5, 2623-69-0, 14844-27-0, 5908-99-6
(1R,3r,5S)-3-tropoyloxytropanium sulfate

A: 532-24-1
tropinone

B: 510-25-8, 5878-33-1, 6696-63-5, 23852-32-6
β-Belladonnin

C: 510-25-8, 5878-33-1, 6696-63-5, 23852-32-6
α-Belladonnin

D: 120-29-6
3-tropanol

E: 135-97-7
pseudotropine

F: 500-55-0
apoatropine

Conditions

Conditions	Yield
In water for 720h; Irradiation; decomposition in aq. solution; stability after storage in glass and polyethylene containers under various conditions (pH-value, temp., oxidative effects, irradiation);

...Expand

: 55-48-1, 300-40-3, 620-61-1, 1867-24-9, 2472-17-5, 2623-69-0, 14844-27-0
atropine sulphate

: 510-25-8, 5878-33-1, 6696-63-5, 23852-32-6
β-Belladonnin

B: 16175-59-0
Apoatropin

: 510-25-8, 5878-33-1, 6696-63-5, 23852-32-6
α-Belladonnin

D: 135-97-7
pseudotropine

Conditions

Conditions	Yield
In water at 100℃; for 15h; Mechanism; pH=8-9; also 100 degC, pH=3-4, 184 h; 100 degC, pH=6-7, 320 h; 90 degC, 20 d; 90 degC, 14 month's;

...Expand

: 126394-78-3
trans-3β-(cinnamoyloxy)tropane

A: 140-10-3
(E)-3-phenylacrylic acid

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With barium dihydroxide Product distribution;

: 532-24-1
tropinone

platinum/charcoal: platinum/charcoal

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
in mineralsaurer Loesung.Hydrogenation;

: 532-24-1
tropinone

platinum: platinum

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
in mineralsaurer Loesung.Hydrogenation;

: 7647-01-0
hydrogenchloride

: 532-24-1
tropinone

sodium amalgam: sodium amalgam

: 135-97-7
pseudotropine

...Expand

: 7432-10-2, 911648-75-4
Tropanol

sodium pentylate solution: sodium pentylate solution

: 135-97-7
pseudotropine

: 64-17-5
ethanol

: 532-24-1
tropinone

sodium: sodium

: 135-97-7
pseudotropine

...Expand

: 32663-70-0, 32663-71-1, 35772-43-1
tropane-3exo-ol-8-oxide

sulfur dioxide: sulfur dioxide

: 135-97-7
pseudotropine

tigloidine: tigloidine

: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With barium dihydroxide

: 36127-17-0
(+/-)-2-(carbomethoxy)-3-tropinone

sodium amalgam: sodium amalgam

acid: acid

A: 135-97-7
pseudotropine

B (+-)-ecgonine methyl ester: (+-)-ecgonine methyl ester

C (+-)-pseudoecgonine methyl ester: (+-)-pseudoecgonine methyl ester

...Expand

: 7722-84-1
dihydrogen peroxide

: 67-64-1
acetone

: 537-26-8
tropacocain

A: 35772-45-3
tropacocaine-N oxide

B: 135-97-7
pseudotropine

...Expand

α-tropidine hydrobromide: α-tropidine hydrobromide

A: 529-18-0
tropidine

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With water at 200℃; im Rohr;
With mineral acid at 200℃; im Rohr;

: 3-iodo-tropane

: 7647-01-0
hydrogenchloride

: 529-18-0, 122709-67-5
Tropidin

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
at 185 - 190℃; im Rohr;

...Expand

: 114173-36-3
homatropine

aq. barium hydroxide solution: aq. barium hydroxide solution

A: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
at 60℃;

...Expand

: 114173-36-3
homatropine

mineral acid: mineral acid

A: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

B: 135-97-7
pseudotropine

...Expand

: 7647-01-0
hydrogenchloride

: 537-26-8
tropacocain

A: 65-85-0
benzoic acid

B: 135-97-7
pseudotropine

...Expand

hydrobromide of tropidine: hydrobromide of tropidine

A: 7432-10-2, 911648-75-4
Tropanol

B: 135-97-7
pseudotropine

Conditions

Conditions	Yield
With hydrogen bromide at 35℃; Erhitzen des Reaktionsprodukts mit Wasser auf 160grad;

: 135-97-7
pseudotropine

: 503-38-8
trichloromethyl chloroformate

: 123259-28-9
exo-8-methyl-8-azabicyclo<3.2.1>oct-3-yl chloroformate hydrochloride

Conditions

Conditions	Yield
In acetonitrile 1.) O deg C, 30 min, 2.) RT, 24 h;	95%

: 135-97-7
pseudotropine

: 532-24-1
tropinone

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 20℃;	95%

: 98-88-4
benzoyl chloride

: 135-97-7
pseudotropine

: 537-26-8
tropacocain

Conditions

Conditions	Yield
With triethylamine In toluene for 4h; Reflux;	90%
With TEA In toluene for 3h; Heating;

: 124-63-0
methanesulfonyl chloride

: 135-97-7
pseudotropine

: 35136-87-9
endo-3-methanesulfonyloxy-8-methyl-8-azabicyclo[3.2.1]octane

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at -5℃; for 1.25h; Product distribution / selectivity;	88.1%
Stage #1: pseudotropine With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Stage #2: methanesulfonyl chloride In tetrahydrofuran at -5 - 15℃; Product distribution / selectivity;	88%
With triethylamine In dichloromethane at -10.4 - -3℃; for 1.25 - 4.58h; Conversion of starting material;	78.1%
With triethylamine In dichloromethane at -10.4 - -3℃; for 0.5 - 4.58h; Product distribution / selectivity;	78.1%

: 106-95-6
allyl bromide

: 135-97-7
pseudotropine

: (1R,3s,5S)-3-(allyloxy)-8-methyl-8-azabicyclo[3.2.1]octane

Conditions

Conditions	Yield
Stage #1: pseudotropine With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide for 0.0833333h; Inert atmosphere; Stage #2: allyl bromide In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere;	75%
Stage #1: pseudotropine With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2.16667h; Stage #2: allyl bromide In N,N-dimethyl-formamide at 0 - 20℃;	44%

: 403-54-3
m-Fluorobenzonitrile

: 135-97-7
pseudotropine

: 1007457-06-8
3-endo-(8-methyl-8-azabicyclo[3.2.1]octan-3-yloxy)benzonitrile

Conditions

Conditions	Yield
Stage #1: pseudotropine With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; Stage #2: m-Fluorobenzonitrile In tetrahydrofuran; mineral oil at 50℃;	73%

: N-(4'-hydroxy-[1,1'-biphenyl]-4-yl)-3',6-dimethoxy-[1,1'-biphenyl]-3-carboxamide

: 135-97-7
pseudotropine

: 3',6-dimethoxy-N-(4'-(((1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy)-[1,1'-biphenyl]-4-yl)-[1,1'-biphenyl]-3-carboxamide

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran for 2h;	71%

: 13373-11-0
2-chloro-5-phenyl-[1,3,4]thiadiazole

: 135-97-7
pseudotropine

: C16H19N3OS

Conditions

Conditions	Yield
Stage #1: pseudotropine With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2-chloro-5-phenyl-[1,3,4]thiadiazole In tetrahydrofuran at 50℃; for 2h;	66%

: 1227078-70-7
14-O-[(acetylthio)acetyl]mutilin

: 124-63-0
methanesulfonyl chloride

: 135-97-7
pseudotropine

: 224452-64-6
[[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester

Conditions

Conditions	Yield
Stage #1: methanesulfonyl chloride; pseudotropine With triethylamine In acetone at 0 - 25℃; for 3h; Stage #2: 14-O-[(acetylthio)acetyl]mutilin With ethylenediamine In toluene at 35℃; for 24h; Product distribution / selectivity; Inert atmosphere;	41%

...Expand

: 23077-44-3
6-fluoroindole-3-carboxylic acid

: 135-97-7
pseudotropine

: (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 6-fluoro-1H-indole-3-carboxylate

Conditions

Conditions	Yield
Stage #1: 6-fluoroindole-3-carboxylic acid With oxalyl dichloride In N,N-dimethyl-formamide at 0℃; for 2h; Inert atmosphere; Stage #2: pseudotropine In dichloromethane at 0 - 20℃;	39.6%

: 771-50-6
1H-indole-3-carboxylic acid

: 135-97-7
pseudotropine

: tropisetron

Conditions

Conditions	Yield
Stage #1: 1H-indole-3-carboxylic acid With thionyl chloride In dichloromethane at 20℃; for 2h; Inert atmosphere; Reflux; Stage #2: pseudotropine With n-butyllithium In tetrahydrofuran; hexane at 5 - 20℃; for 16.5h; Inert atmosphere;	34%

: 352-34-1
4-fluoro-1-iodobenzene

: 76-05-1
trifluoroacetic acid

: 135-97-7
pseudotropine

: (1R,3R,5S)-3-(4-iodophenoxy)-8-methyl-8-azabicyclo[3.2.1]octane trifluoroacetate

Conditions

Conditions	Yield
Stage #1: 4-fluoro-1-iodobenzene; pseudotropine With sodium hydride In N,N-dimethyl-formamide; mineral oil at 85℃; for 24h; Inert atmosphere; Stage #2: trifluoroacetic acid	33%

...Expand

: 134-83-8
1-chloro-4-(chloro(phenyl)methyl)benzene

: 135-97-7
pseudotropine

: 3β-<(4'-chlorophenyl)phenylmethoxy>tropane hydrochloride

Conditions

Conditions	Yield
at 160℃;	31%

: 119-61-9
benzophenone

: 135-97-7
pseudotropine

A: 464-72-2
tetraphenylethane-1,2-diol

B: (1R,3S,5S)-8-(2-Hydroxy-2,2-diphenyl-ethyl)-8-aza-bicyclo[3.2.1]octan-3-ol

Conditions

Conditions	Yield
In benzene at 22 - 25℃; for 19h; Irradiation;	A n/a B 31%

...Expand

: mutilin 14-methanesulfonyloxyacetate

: 135-97-7
pseudotropine

: mutilin 14-(exo-8-methyl-8-azabicyclo[3.2.1]oct-3-ylsulfanyl)-acetate

Conditions

Conditions	Yield
	17%

: 67-64-1
acetone

: 135-97-7
pseudotropine

A: 76-09-5
2,3-dimethyl-2,3-butane diol

B: (1R,3S,5S)-8-(2-Hydroxy-2-methyl-propyl)-8-aza-bicyclo[3.2.1]octan-3-ol

Conditions

Conditions	Yield
In benzene at 22 - 25℃; for 19h; Irradiation;	A n/a B 15%

...Expand

: 109-65-9
1-bromo-butane

: 135-97-7
pseudotropine

: 17812-42-9
8anti-butyl-3exo-hydroxy-8syn-methyl-nortropanium; bromide

Conditions

Conditions	Yield
With acetonitrile

: 1871-76-7
diphenylacetic acid chloride

: 135-97-7
pseudotropine

: 119113-39-2
3exo-diphenylacetoxy-tropane

: 722-96-3
2-Chlor-2,2-diphenylacetamid

: 135-97-7
pseudotropine

A: 6744-64-5
N,N'-dibenzhydryl-urea

B: diphenyl-tropane-3exo-yloxy-acetic acid amide

Conditions

Conditions	Yield
With sodium carbonate; benzene at 125℃;

...Expand

: 538-56-7
cinnamic acid anhydride

: 135-97-7
pseudotropine

: 126394-78-3
trans-3β-(cinnamoyloxy)tropane

Conditions

Conditions	Yield
With water

Pseudotropine Chemical Properties

Molecular structure of Pseudotropine (CAS NO.135-97-7):

Product Name: Pseudotropine
CAS Registry Number: 135-97-7
IUPAC Name: 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
Molecular Weight: 141.2108 g/mol
Molecular Formula: C₈H₁₅NO
XLogP3-AA: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Index of Refraction: 1.526
Molar Refractivity: 40.199 cm³
Molar Volume: 130.992 cm³
Surface Tension: 39.584 dyne/cm
Density: 1.078 g/cm³
Flash Point: 112.53 °C
Enthalpy of Vaporization: 54.599 kJ/mol
Boiling Point: 232.999 °C at 760 mmHg
Vapour Pressure: 0.011 mmHg at 25°C
Classification Code Pseudotropine (CAS NO.135-97-7): Drug / Therapeutic Agent
EINECS: 205-226-5

Pseudotropine Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	280mg/kg (280mg/kg)		Annales de Chimie. Vol. 7, Pg. 537, 1962.
rabbit	LD50	intravenous	> 50mg/kg (50mg/kg)		Annales de Chimie. Vol. 7, Pg. 537, 1962.

Pseudotropine Specification

Pseudotropine (CAS NO.135-97-7) also can be called 3-Pseudotropanol ; 3-beta-Tropanol ; 3beta-Tropanol ; 5-21-01-00219 (Beilstein Handbook Reference) ; BRN 0080189 ; NSC 43871 ; Pseudotropanol ; exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol ; psi-Tropine ; 1-alpha-H,5-alpha-H-Tropan-3-beta-ol ; 1alphaH,5alphaH-Tropan-3beta-ol (8CI) ; 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, exo- (9CI) ; exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol .

Product Name

Pseudotropine

Synthetic route

Pseudotropine Chemical Properties

Pseudotropine Toxicity Data With Reference

Pseudotropine Specification

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