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| CAS No.: | 120-29-6 |
|---|---|
| Name: | Tropine |
| Molecular Structure: | |
|
|
|
| Formula: | C8H15NO |
| Molecular Weight: | 141.213 |
| Synonyms: | Tropine;α -Tropine; tropinol;1aH,5aH-Tropan-3a-ol (8CI);8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-;Tropanol(6CI,7CI);2,3-Dihydro-3a-hydroxy-8-methylnortropidine;2,3-Dihydro-3a-hydroxytropidine;3a-Tropanol;NSC 43870; |
| EINECS: | 204-384-2 |
| Density: | 1.078 g/cm3 |
| Melting Point: | 64 °C |
| Boiling Point: | 232.999 °C at 760 mmHg |
| Flash Point: | 112.5 °C |
| Solubility: | water: 0.1 g/mL, clear |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 26/28-20/22 |
| Safety: | 22-24/25 |
| PSA: | 23.47000 |
| LogP: | 0.54180 |
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| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate | 95% |
| With methanol; nickel Hydrogenation; |
| Conditions | Yield |
|---|---|
| iron In isopropyl alcohol at 60℃; for 2h; Product distribution / selectivity; | A 84% B 5% |
| Stage #1: tropine-N-oxide hydrochloride With ferrocene In chloroform for 24h; Reflux; Stage #2: With sodium hydroxide In chloroform; water | A 74% B 8% |
- 4827-85-4
tropinone hydrochloride
A
- 85089-40-3
8,8'-dimethyl-3,3'-dihydroxy-3,3'-bi(8-azabicyclo<3.2.1>octyl)
C
- 120-29-6
3-tropanol
D
- 135-97-7
pseudotropine
| Conditions | Yield |
|---|---|
| With isopropyl alcohol for 22h; Heating; Irradiation; PRK-2 mercury-quartz lamp; | A 5% B 22% C 46% D 32% |
- 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)
C
- 120-29-6
3-tropanol
D
- 135-97-7
pseudotropine
| Conditions | Yield |
|---|---|
| for 22h; Heating; Irradiation; PRK-2 mercury-quartz lamp; | A 5% B 22% C 46% D 32% |
- 93713-44-1
(1R,3R,5S)-3-Hydroxy-8-isopropyl-8-methyl-8-azonia-bicyclo[3.2.1]octane; iodide
A
- 3423-25-4
endo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol
B
- 120-29-6
3-tropanol
| Conditions | Yield |
|---|---|
| With sodium thiophenolate In acetonitrile; butanone Heating; | A 13% B 40% |
| Conditions | Yield |
|---|---|
| in alkal.Loesung; |
| Conditions | Yield |
|---|---|
| weitere Nebenprodukt:Tropan;bei der elektrolytischen Reduktion in schwach saurer Loesung; |
| Conditions | Yield |
|---|---|
| elektrolytische Reduktion in alkal.Loesung; | |
| With methanol; nickel under 44130.5 Torr; Hydrogenation; | |
| With 2,3,5-Trimethoxytetrahydrofuran; nickel at 50℃; Hydrogenation.unter 60 at Anfangsdruck; |
| Conditions | Yield |
|---|---|
| With aluminum isopropoxide; isopropyl alcohol | |
| With sodium tetrahydroborate In ethanol for 1h; | A 91 mg B 519 mg |
- 12030-97-6Potassium titanate
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- 12031-48-0LANTHANUM ZIRCONATE
- 12035-51-7NICKEL SULFIDE
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- 1203-68-52-Biphenylcarboxaldehyde
- 12037-01-3Tetraterbium heptaoxide
- 12038-67-4RHENIUM HEPTASULFIDE
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Molecular Formula: C8H15NO
Molar mass: 141.2108 g/mol
Structure of Tropine (CAS NO.120-29-6):
Density: 1.078 g/cm3
Flash Point: 112.5 °C
Boiling Point: 233 °C at 760 mmHg
Index of Refraction: 1.525
Vapour Pressure: 0.0106 mmHg at 25 °C
Melting Point: 64 °C
Water solubility: 100 g/L (20 °C)
Storage Temp: 2-8 °C
XLogP3-AA: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Exact Mass: 141.115364
MonoIsotopic Mass: 141.115364
Topological Polar Surface Area: 23.5
Heavy Atom Count: 10
Canonical SMILES: CN1C2CCC1CC(C2)O
InChI: InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChIKey: CYHOMWAPJJPNMW-UHFFFAOYSA-N
EINECS: 204-384-2
Product Categories: TROSPIUM CHLORIDE; Alkaloids; Biochemistry; Tropane Alkaloids
Uses
Tropine (CAS NO.120-29-6) is used as a pharmaceutical intermediate.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 139mg/kg (139mg/kg) | Annales de Chimie. Vol. 7, Pg. 537, 1962. | |
| rabbit | LD50 | intravenous | > 50mg/kg (50mg/kg) | Annales de Chimie. Vol. 7, Pg. 537, 1962. |
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 26/28-20/22
R26/28:Very toxic by inhalation and if swallowed.
R20/22:Harmful by inhalation and if swallowed.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
RIDADR: 1544
WGK Germany: 3
RTECS: YM3875000
F: 3
Hazard Note: Irritant
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29399990
Specification
Tropine (CAS NO.120-29-6) is also named as 2,3-Dihydro-3alpha-hydroxytropidine ; 3-alpha-Tropanol ; 3alpha-Tropanol ; 5-21-01-00219 (Beilstein Handbook Reference) ; 8-Azabicyclo(3.2.1)octanol, 8-methyl- ; AI3-52686 ; BRN 0080188 ; NSC 43870 ; NSC 43871 ; Tropanol ; endo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol ; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol ; 1alphaH,5alphaH-Tropan-3alpha-ol (8CI) . Tropine (CAS NO.120-29-6) is white to slightly yellow crystalline powder. It is a derivative of tropane containing an oxygen atom. Benzatropine and etybenzatropine are it's derivatives.