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| CAS No.: | 532-24-1 |
|---|---|
| Name: | Tropinone |
| Molecular Structure: | |
|
|
|
| Formula: | C8H13NO |
| Molecular Weight: | 139.197 |
| Synonyms: | 1aH,5aH-Tropan-3-one(8CI);Tropanone (6CI);Tropinone (7CI);3-Tropanone;3-Tropinone;8-Methyl-8-azabicyclo[3.2.1]octan-3-one;N-Methyl-8-azabicyclo[3.2.1]octan-3-one;NSC 118012; |
| EINECS: | 208-530-6 |
| Density: | 1.066 g/cm3 |
| Melting Point: | 40-44 °C(lit.) |
| Boiling Point: | 217.1 °C at 760 mmHg |
| Flash Point: | 90 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-22-36/37/38 |
| Safety: | 23-24/25-36/37/39-26-22 |
| Transport Information: | UN 1544 |
| PSA: | 20.31000 |
| LogP: | 0.75000 |
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| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 25℃; for 2h; | 72% |
- 100371-46-8
3-oxo-tropane-2,4-dicarboxylic acid dimethyl ester
A
- 36127-17-0
(+/-)-2-(carbomethoxy)-3-tropinone
B
- 532-24-1
tropinone
| Conditions | Yield |
|---|---|
| With phosphate buffer In water at 20℃; for 24h; pH=8.0; Decarboxylation; demethoxycarbonylation; | A 55% B 13% |
| Conditions | Yield |
|---|---|
| With mercury(II) diacetate In acetic acid for 18h; Heating; | A 12% B 25% |
- 542-05-2
acetonedicarboxylic acid
- 638-37-9
butanedial
- 593-51-1
methylamine hydrochloride
A
- 532-24-1
tropinone
B
- 36295-25-7
2-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]acetone
| Conditions | Yield |
|---|---|
| With disodium hydrogenphosphate; water bei pH 6.8; |
| Conditions | Yield |
|---|---|
| With 4-methylisopropylbenzene; sodium at 160℃; | |
| With xylene; sodium t-butanolate Erhitzen des jeweiligen Reaktionsprodukts mit wss. Schwefelsaeure oder Salzsaeure; |
| Conditions | Yield |
|---|---|
| With water |
| Conditions | Yield |
|---|---|
| Erhitzen der sauren Loesung des Reaktionsprodukts; |
| Conditions | Yield |
|---|---|
| in verduennter waessriger Loesung im pH-Bereich 3-11 bei ca. 3-taegiem Stehenlassen bei Raumtemperatur; | |
| at 20 - 25℃; bei pH 3-11; |
- 7432-10-2, 911648-75-4
Tropanol
- 532-24-1
tropinone
| Conditions | Yield |
|---|---|
| elektrolytischen Oxydation in saurer oder swach alkalischer Loesung; |
| Conditions | Yield |
|---|---|
| With chromium(III) oxide; sulfuric acid at 0℃; | |
| With chromic acid; acetic acid at 60 - 70℃; | |
| With sulfuric acid; chromic acid at 50 - 55℃; |
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Safety Profile
Safety Information of Tropinone (CAS NO.532-24-1):
Hazard Codes:C 
,Xi 
Risk Statements:34-22-36/37/38
34:Causes burns
22:Harmful if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25-36/37/39-26-22
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25:Avoid contact with skin and eyes
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
22:Do not breathe dust
RIDADR:1544
WGK Germany:3
HazardClass:6.1
PackingGroup:III
HS Code:29399990
Specification
The Tropinone, with the CAS registry number 532-24-1,is also known as 3-Tropanone; 8-Methyl-8-azabicyclo[3.2.1]octan-3-one. It belongs to the product categories of Miscellaneous Biochemicals;chiral;Fused Ring Systems. This chemical's molecular formula is C8H13NO and molecular weight is 139.20. What's more,Its systematic name is Tropinone.It is a white to light yellow crystal powde. And it is used as a intermediate to product Atropine sulfate.
Physical properties about Tropinone are:
(1)ACD/LogP: 0.522; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 38.739 cm3; (14)Molar Volume: 130.503 cm3; (15)Surface Tension: 35.5950012207031 dyne/cm; (16)Density: 1.067 g/cm3; (17)Flash Point: 90 °C; (18)Enthalpy of Vaporization: 45.347 kJ/mol; (19)Boiling Point: 217.101 °C at 760 mmHg; (20)Vapour Pressure: 0.135000005364418 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C1CC2N(C)C(C1)CC2;
(2)Std. InChI:InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3;
(3)Std. InChIKey:QQXLDOJGLXJCSE-UHFFFAOYSA-N.
Safety Information of Tropinone:
The Tropinone is Harmful if swallowed and Irritating to eyes, respiratory system and skin. And it causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .When you use it ,wear suitable protective clothing, gloves and eye/face protection.And do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .Avoid contact with skin and eyes.