CAS No.120-29-6,Tropine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120-29-6
Name:	Tropine
Article Data:	66

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

Synthetic route

: 50-00-0
formaldehyd

: 538-09-0
nortropine

: 120-29-6
3-tropanol

Conditions

Conditions	Yield
With sodium tetrahydroborate	95%
With methanol; nickel Hydrogenation;

: 1234788-77-2
tropine N-oxide hydrochloride

A: 538-09-0
nortropine

B: 120-29-6
3-tropanol

Conditions

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)

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

: 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

Conditions	Yield
With sodium thiophenolate In acetonitrile; butanone Heating;	A 13% B 40%

: 16052-39-4
3-(2′-phenylpropionyloxy)tropane

A: 492-37-5, 2328-24-7
hydratropic acid

B: 120-29-6
3-tropanol

Conditions

Conditions	Yield
in alkal.Loesung;

: 532-24-1
tropinone

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

B: 120-29-6
3-tropanol

Conditions

Conditions	Yield
weitere Nebenprodukt:Tropan;bei der elektrolytischen Reduktion in schwach saurer Loesung;

: 532-24-1
tropinone

: 120-29-6
3-tropanol

Conditions

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;

: 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

: 127-09-3
sodium acetate

: 27809-79-6
bromotropinol

: furan-2,3,5(4H)-trione pyridine (1:1)

: 120-29-6
3-tropanol

...Expand

Raw Materials

55-48-1

123-91-1

7664-93-9

10034-85-2

538-09-0

50-00-0

7647-01-0

64-17-5

Downstream Products

538-09-0

101-31-5

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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: Irritant Xi, Harmful 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.