CAS No.485-71-2,Cinchonidine Suppliers,MSDS download

Products Categories

Pharmaceutical (107)
Organic Chemicals (19)
Others (17)
Reagent (9)
Plant Extract (8)
Materials (4)
Agrochemicals (1)

Basic Information

Molecular Structure:
CAS No.:	485-71-2
Name:	Cinchonidine
Article Data:	21

Formula:	C₁₉H₂₂N₂O
Molecular Weight:	294.396
Synonyms:	Cinchonan-9-ol, (8alpha,9R)-;(R)-[(4R,5S,7R)-5-ethenyl-1-azoniabicyclo[2.2.2]oct-7-yl]-quinolin-4-yl-methanol;(R)-[(5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl]-quinolin-4-yl-methanol;(R)-[(4S,5S,7R)-5-ethenyl-1-azoniabicyclo[2.2.2]oct-7-yl]-quinolin-4-yl-methanol;Cinchonan-9-ol, (8R,9R)-;Cinchonan-9-ol, (8-alpha,9R)- (9CI);2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-;(R)-[(4S,5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl]-quinolin-4-yl-methanol;(8S,9R)-Cinchonidine;alpha-Quinidine;(8-alpha,9R)-Cinchonan-9-ol;
EINECS:	207-622-3
Density:	1.204 g/cm³
Melting Point:	204-206 °C(lit.)
Boiling Point:	464.502 °C at 760 mmHg
Flash Point:	234.723 °C
Solubility:	insoluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-42/43-36/37/38
Safety:	22-24/25-36/37-26
Transport Information:	UN 1544
PSA:	36.36000
LogP:	3.10250

Synthetic route

: cinchonidine diphenylmethylsilyl ether

: 485-71-2
Cinchonidin

Conditions

Conditions	Yield
With potassium 4-(methoxy)phenyltrifluoroborate In dimethyl sulfoxide at 37℃; for 10h; Inert atmosphere;	64%

: 915134-81-5
O-tosylcinchonidine

A: 1393446-38-2
(Z)-1-(quinolin-4-yl)-3-((3R,4R)-3-vinylpiperidin-4-yl)prop-1-enyl 4-methylbenzene sulfonate

B: 118-10-5, 485-70-1, 485-71-2, 550-54-9, 40134-63-2, 72402-55-2, 72402-56-3
(1S,3R,4S,8S,9S)-9-hydroxy-cinchonane

C: 485-71-2
Cinchonidin

Conditions

Conditions	Yield
With salicylic acid In ethylene glycol at 95℃; for 0.25h; Microwave irradiation;	A 40% B 20% C 10%

...Expand

(8S,9R)-cinchonane-9,6'-diol: (8S,9R)-cinchonane-9,6'-diol

: 485-71-2
Cinchonidin

Conditions

Conditions	Yield
ueber mehrere Stufen;

: 118-10-5
Cinchonin

pentylalcoholic KOH-solution: pentylalcoholic KOH-solution

: 485-71-2
Cinchonidin

: 71-41-0
pentan-1-ol

: 118-10-5
Cinchonin

KOH: KOH

A: 118-10-5, 485-70-1, 485-71-2, 550-54-9, 40134-63-2, 72402-55-2, 72402-56-3
(1S,3R,4S,8S,9S)-9-hydroxy-cinchonane

B: 485-71-2
Cinchonidin

C: 118-10-5, 485-70-1, 485-71-2, 550-54-9, 40134-63-2, 72402-55-2, 72402-56-3
(+)-cinchonine

Conditions

Conditions	Yield
Product distribution;

...Expand

: 118-10-5
Cinchonin

A: 485-71-2
Cinchonidin

B epicinchonin; epicinchonidine: epicinchonin; epicinchonidine

Conditions

Conditions	Yield
With potassium hydroxide; pentan-1-ol

: 917-54-4
methyllithium

: 485-71-2
Cinchonidin

: 2'-methylcinchonidine

Conditions

Conditions	Yield
In tetrahydrofuran at -10 - 20℃; for 5h; Inert atmosphere;	100%
In tetrahydrofuran at -10 - 50℃; for 6h; Inert atmosphere; Schlenk technique;	100%
In tetrahydrofuran at -78.16℃; for 12h; Inert atmosphere;	14%
In tetrahydrofuran at -78.16℃; for 12h; Inert atmosphere;	14%

: 100-44-7
benzyl chloride

: 485-71-2
Cinchonidin

: 69221-14-3, 69257-04-1, 95189-65-4
(8S,9R)-(-)-N-benzylcinchonidinium chloride

Conditions

Conditions	Yield
In toluene for 2h; Reflux;	100%
With sodium iodide In tetrahydrofuran at 20℃; Reflux;

: 23165-29-9
3,5-bistrifluoromethylphenylisothiocyanate

: 485-71-2
Cinchonidin

: O-((R)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)(3,5-bis(trifluoromethyl)phenyl)carbamothioate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 12h; Inert atmosphere;	99%

: 215169-00-9
2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid

: 485-71-2
Cinchonidin

: C19H22N2O*C19H22O6

Conditions

Conditions	Yield
In ethyl acetate at 50℃; for 1h;	99%

Raw Materials

118-10-5

71-41-0

Downstream Products

7664-41-7

463-79-6

91-22-5

599-04-2

144-62-7

69257-04-1

938-79-4

4286-15-1

Total:137 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 485-71-2

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Cinchonidine, with the CAS registry number 485-71-2, is also known as (8S,9R)-Cinchonidine. It belongs to the product categories of Cyclic compounds; Alkaloids; Chiral; Biochemistry; Optical Resolution; Quinoline Alkaloids; Quinoline carboxylic Acids, etc.; Quinolines; Synthetic Organic Chemistry; Aromatics; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 207-622-3. This chemical's molecular formula is C₁₉H₂₂N₂O and molecular weight is 294.39. What's more, its systematic name is (8α,9R)-Cinchonan-9-ol. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Natural Product. This chemical is an alkaloid found in Cinchona officinalis. It is used in asymmetric synthesis in organic chemistry. It is a stereoisomer and pseudo-enantiomer of cinchonine. This chemcial should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of Cinchonidine are: (1)ACD/LogP: 2.788; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): 0.90; (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): 10.06; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.36 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 89.424 cm³; (15)Molar Volume: 244.537 cm³; (16)Polarizability: 35.45×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.204 g/cm³; (19)Flash Point: 234.723 °C; (20)Enthalpy of Vaporization: 76.485 kJ/mol; (21)Boiling Point: 464.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Cinchonidine: it can be used to produce N-(p-bromobenzyl)-cinchonidinium bromide at the ambient temperature. It will need solvent CH₂Cl₂ with the reaction time of 17 hours. The yield is about 65%.

Cinchonidine can be used to produce N-(p-bromobenzyl)-cinchonidinium bromide at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. This substance may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing and gloves and you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(cccc1)c(cc2)[C@@H](O)[C@H]3N4CC[C@@H](C3)[C@@H](/C=C)C4
(2)Std. InChI: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
(3)Std. InChIKey: KMPWYEUPVWOPIM-KODHJQJWSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
quail	LD50	oral	> 316mg/kg (316mg/kg)		Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.
rat	LD50	intraperitoneal	206mg/kg (206mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Acta Pharmacologica et Toxicologica. Vol. 4, Pg. 265, 1948.