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532-24-1

Basic Information
CAS No.: 532-24-1
Name: Tropinone
Article Data: 58
Cas Database
Molecular Structure:
Molecular Structure of 532-24-1 (Tropinone)
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
Solubility: N/A
Appearance: white to light yellow crystal powder
Hazard Symbols: CorrosiveC, IrritantXi
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
Synthetic route
1192-93-4

cyclohepta-2,6-dienone

593-51-1

methylamine hydrochloride

532-24-1

tropinone

Conditions
ConditionsYield
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
ConditionsYield
With phosphate buffer In water at 20℃; for 24h; pH=8.0; Decarboxylation; demethoxycarbonylation;A 55%
B 13%
45771-52-6

(+/-)-hygrine

A

532-24-1

tropinone

B

1-[1-Methyl-pyrrolidin-(2E)-ylidene]-propan-2-one

Conditions
ConditionsYield
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
ConditionsYield
With disodium hydrogenphosphate; water bei pH 6.8;
5690-89-1

(1-methyl-pyrrolidine-2,5-diyl)-di-acetic acid diethyl ester

532-24-1

tropinone

Conditions
ConditionsYield
With 4-methylisopropylbenzene; sodium at 160℃;
With xylene; sodium t-butanolate Erhitzen des jeweiligen Reaktionsprodukts mit wss. Schwefelsaeure oder Salzsaeure;
638-37-9

butanedial

67-64-1

acetone

74-89-5

methylamine

532-24-1

tropinone

Conditions
ConditionsYield
With water
638-37-9

butanedial

105-50-0

diethyl 1,3-acetonedicarboxylate

74-89-5

methylamine

532-24-1

tropinone

Conditions
ConditionsYield
Erhitzen der sauren Loesung des Reaktionsprodukts;
542-05-2

acetonedicarboxylic acid

638-37-9

butanedial

74-89-5

methylamine

532-24-1

tropinone

Conditions
ConditionsYield
in verduennter waessriger Loesung im pH-Bereich 3-11 bei ca. 3-taegiem Stehenlassen bei Raumtemperatur;
at 20 - 25℃; bei pH 3-11;
Conditions
ConditionsYield
elektrolytischen Oxydation in saurer oder swach alkalischer Loesung;
120-29-6

3-tropanol

532-24-1

tropinone

Conditions
ConditionsYield
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.

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