CAS No.37338-80-0,orellanine Suppliers

Products Categories

Pharmaceutical (13)
Others (5)
Organic Chemicals (3)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	37338-80-0
Name:	orellanine
Article Data:	4

Formula:	C₁₀H₈N₂O₆
Molecular Weight:	252.183
Synonyms:	3,3',4,4'-Tetrahydroxy-2,2'-bipyridine-1,1'-dioxide;
Density:	1.777 g/cm³
Boiling Point:	834.615 °C at 760 mmHg
Flash Point:	458.558 °C
PSA:	124.92000
LogP:	-0.43720

Synthetic route

: 72016-31-0
orelline

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
With dihydrogen peroxide for 8h; Ambient temperature;	87%
for 336h; Irradiation; isomerisation also without irradiation;

: 101664-54-4
tetra-O-methylorellanine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid for 5h; Heating;	77%
With hydrogen bromide at 120℃; for 5h;	60%
With hydrogen bromide at 120℃;	60%
With hydrogen bromide In acetic acid for 4h;	30%

: 101664-55-5
3,3',4,4'-tetramethoxy-2,2'-bipyridine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: m-chloroperbenzoic acid 2: m-chloroperbenzoic acid 3: 60 percent / 48percent HBr / 120 °C View Scheme
Multi-step reaction with 2 steps 1: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 2: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 85 percent / m-chloroperbenzoic acid / CHCl3 / 8 h / Ambient temperature 2: 60 percent / 48percent aq. HBr / 5 h / 120 °C View Scheme
Multi-step reaction with 2 steps 1: 41 percent / Ac2O, H2O2 2: 30 percent / 33percent HBr, acetic acid / acetic acid / 4 h View Scheme

: 104819-52-5
2-bromo-3,4-dimethoxy pyridine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 87 percent / NiCl2, P(Ph)3, Zn / dimethylformamide / 50 °C 2: m-chloroperbenzoic acid 3: m-chloroperbenzoic acid 4: 60 percent / 48percent HBr / 120 °C View Scheme
Multi-step reaction with 3 steps 1: 1.) NiCl2*6H2O, Ph3P, Zn powder / 1.) DMF, 50 deg C, 1 h; 2.) DMF, 50 deg C, 2 h; other cond.: Cu, KI, DMF or Pd/C, phase transfer conditions 2: 85 percent / m-chloroperbenzoic acid / CHCl3 / 8 h / Ambient temperature 3: 60 percent / 48percent aq. HBr / 5 h / 120 °C View Scheme

: 105011-83-4
2-bromo-3,4-dimethoxy pyridine-N-oxide

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: phosphorus tribromide 2: 87 percent / NiCl2, P(Ph)3, Zn / dimethylformamide / 50 °C 3: m-chloroperbenzoic acid 4: m-chloroperbenzoic acid 5: 60 percent / 48percent HBr / 120 °C View Scheme
Multi-step reaction with 4 steps 1: 85 percent / PBr3 / CHCl3 / 0.5 h / 60 °C 2: 1.) NiCl2*6H2O, Ph3P, Zn powder / 1.) DMF, 50 deg C, 1 h; 2.) DMF, 50 deg C, 2 h; other cond.: Cu, KI, DMF or Pd/C, phase transfer conditions 3: 85 percent / m-chloroperbenzoic acid / CHCl3 / 8 h / Ambient temperature 4: 60 percent / 48percent aq. HBr / 5 h / 120 °C View Scheme

: 112516-35-5
3,4,3',4'-Tetramethoxy-[2,2']bipyridinyl 1-oxide

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: m-chloroperbenzoic acid 2: 60 percent / 48percent HBr / 120 °C View Scheme

: 33631-09-3
4-methoxypyridin-3-amine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 80 percent / Br2, conc. HCl / 1 h 3: 42 percent / NiCl2*6H2O/(C6H5)3P, Zn / 4 h / 50 °C 4: 27 percent / 30percent H2O2, (CH3CO)2O / 14 h / 100 °C 5: 92 percent / Na / 0.25 h / Heating 6: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme

: 17282-04-1
2-chloro-3-fluoropyridine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 64 percent / (CH3CO)2O, 30percent H2O2 / 12 h / 80 °C 2: 44 percent / conc. H2SO4/H2SO4 (20percent SO3) (1:1); H2SO4 (20percent SO3)/100percent HNO3 / 1 h / Heating 3: 1.) Na, 2.) PCl3 / 1.) MeOH, 24 h, room temp. 2.) chloroform, 2 h, reflux 4: 52 percent / NiCl2*6H2O/(C6H5)3P, Zn, KI / dimethylformamide / 12 h / 50 °C 5: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 6: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 7 steps 1: 64 percent / (CH3CO)2O, 30percent H2O2 / 12 h / 80 °C 2: 44 percent / conc. H2SO4/H2SO4 (20percent SO3) (1:1); H2SO4 (20percent SO3)/100percent HNO3 / 1 h / Heating 3: 83 percent / Na / methanol / 72 h / Ambient temperature 4: 80 percent / PCl3 / CHCl3 / 2 h / Heating 5: 52 percent / NiCl2*6H2O/(C6H5)3P, Zn, KI / dimethylformamide / 12 h / 50 °C 6: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 7: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 7 steps 1: 54 percent / acetic anhydride, 30percent H2O2 2: 42 percent / 100percent HNO3/ 100percent H2SO4 containing 10percent SO3 3: Ambient temperature 4: PCl3 5: 25 percent / dimethylformamide / 4 h / 50 °C 6: 41 percent / Ac2O, H2O2 7: 30 percent / 33percent HBr, acetic acid / acetic acid / 4 h View Scheme

: 85386-94-3
2-Chlor-3-fluorpyridin-1-oxid

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 44 percent / conc. H2SO4/H2SO4 (20percent SO3) (1:1); H2SO4 (20percent SO3)/100percent HNO3 / 1 h / Heating 2: 1.) Na, 2.) PCl3 / 1.) MeOH, 24 h, room temp. 2.) chloroform, 2 h, reflux 3: 52 percent / NiCl2*6H2O/(C6H5)3P, Zn, KI / dimethylformamide / 12 h / 50 °C 4: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 5: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 6 steps 1: 44 percent / conc. H2SO4/H2SO4 (20percent SO3) (1:1); H2SO4 (20percent SO3)/100percent HNO3 / 1 h / Heating 2: 83 percent / Na / methanol / 72 h / Ambient temperature 3: 80 percent / PCl3 / CHCl3 / 2 h / Heating 4: 52 percent / NiCl2*6H2O/(C6H5)3P, Zn, KI / dimethylformamide / 12 h / 50 °C 5: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 6: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 6 steps 1: 42 percent / 100percent HNO3/ 100percent H2SO4 containing 10percent SO3 2: Ambient temperature 3: PCl3 4: 25 percent / dimethylformamide / 4 h / 50 °C 5: 41 percent / Ac2O, H2O2 6: 30 percent / 33percent HBr, acetic acid / acetic acid / 4 h View Scheme

: 101664-59-9
2-chloro-3,4-dimethoxypyridine

: 37338-80-0
3,3',4,4'-tetrahydroxy-2,2'-bipyridine-1,1'-dioxide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 52 percent / NiCl2*6H2O/(C6H5)3P, Zn, KI / dimethylformamide / 12 h / 50 °C 2: 53 percent / 30percent H2O2, (CH3CO)2O, / 14 h / 100 °C 3: 77 percent / 33percent HBr/CH3COOH / 5 h / Heating View Scheme
Multi-step reaction with 3 steps 1: 25 percent / dimethylformamide / 4 h / 50 °C 2: 41 percent / Ac2O, H2O2 3: 30 percent / 33percent HBr, acetic acid / acetic acid / 4 h View Scheme

Country:
- China (Mainland)(21)
- United Kingdom(1)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:22 Page 1 of 1 1

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 37338-80-0

Specification

The CAS registry number of [2,2'-Bipyridine]-3,3',4,4'-tetrol,1,1'-dioxide is 37338-80-0. It is a pyridine N-oxide and a crystalline alkaloid that is found naturally in some lifeforms. In addition, the molecular formula is C₁₀H₈N₂O₆ and the molecular weight is 252.17. What's more, it has been found in at least five species of mushrooms in the Cortinariaceae family.

Physical properties about [2,2'-Bipyridine]-3,3',4,4'-tetrol,1,1'-dioxide are: (1)ACD/LogP: -3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 131.84 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 56.554 cm³; (15)Molar Volume: 141.911 cm³; (16)Polarizability: 22.42 ×10^-24cm³; (17)Surface Tension: 86.76 dyne/cm; (18)Density: 1.777 g/cm³; (19)Flash Point: 458.558 °C; (20)Enthalpy of Vaporization: 125.458 kJ/mol; (21)Boiling Point: 834.615 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1ccc(O)c(O)c1c2[n+]([O-])ccc(O)c2O
(2)Std. InChI: InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,13-16H
(3)Std. InChIKey: JEWWXPOUSBVQKG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
cat	LD50	oral	4900ug/kg (4.9mg/kg)	Roczniki Panstwowego Zakladu Higieny. Vol. 12, Pg. 491, 1961.
guinea pig	LD50	intraperitoneal	8mg/kg (8mg/kg)	Roczniki Panstwowego Zakladu Higieny. Vol. 12, Pg. 491, 1961.
mouse	LD50	intraperitoneal	12480ug/kg (12.48mg/kg)	Toxicon. Vol. 23, Pg. 815, 1985.
mouse	LD50	oral	33mg/kg (33mg/kg)	Archives of Toxicology. Vol. 62, Pg. 81, 1988.
mouse	LD50	subcutaneous	8300ug/kg (8.3mg/kg)	Roczniki Panstwowego Zakladu Higieny. Vol. 12, Pg. 491, 1961.