CAS No.4368-28-9,TETRODOTOXIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4368-28-9
Name:	TETRODOTOXIN
Article Data:	3

Formula:	C₁₁H₁₇N₃O₈
Molecular Weight:	319.271
Synonyms:	8a(1H)-Quinazolineorthoglycolicacid, octahydro-4,5,6,7,8-pentahydroxy-6-(hydroxymethyl)-2-imino-, cyclic8a,5:8a,7-ester (7CI);Tetrodotoxin (8CI);(-)-Tetrodotoxin;5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-12-(hydroxymethyl)-2-imino-, [4R-(4a,4aa,5a,7a,9a,10a,10ab,11S,12S)]-;Araregai toxin;BJT 1;Babyloniajaponica toxin 1;Maculotoxin;PFT-1 Toxin;Spheroidine;TTX;Tarichatoxin;Tetrodotoxine;[4R-(4a,4aa,5a,7a,9a,10a,10ab,11S,12S)]-Octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol;
EINECS:	224-458-8
Density:	2.78 g/cm³
Melting Point:	225oC dec
Boiling Point:	702.6 °C at 760 mmHg
Flash Point:	378.7 °C
Solubility:	slightly soluble in Water
Appearance:	white powder
Hazard Symbols:	T+
Risk Codes:	26/27/28
Safety:	22-36/37/39-45
Transport Information:	UN 3462 6.1/PG 1
PSA:	192.32000
LogP:	-6.03400

Synthetic route

: C19H23N3O10

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 3h;	96.4%

: 4-O-methyltetrodotoxin

A: 4368-28-9
tetradotoxin

B: 4,9-anhydro-4-epitetrodotoxin

Conditions

Conditions	Yield
In water-d2; trifluoroacetic acid for 96h;	A 66% B 15%

: 4,9-anhydro-4-epitetrodotoxin

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
In water-d2; trifluoroacetic acid for 96h;	63%

: C28H49N3O12Si

A: 4,9-anhydrotetrodotoxin

B: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 20℃;	A 58% B 36%

: C17H31NO8Si

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HgCl2; Et3N / dimethylformamide / 20 °C 2: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

: 794568-31-3
Acetic acid (1R,3S,5S,6S,7S,8R,9S,10S)-9-acetoxy-9-acetoxymethyl-8-dimethoxymethyl-3,10-dihydroxy-7-(2,2,2-trichloro-acetylamino)-2,4-dioxa-tricyclo[3.3.1.13,7]dec-6-yl ester

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 2,6-lutidine / CH2Cl2 / 0 °C 2: diisobutylaluminum hydride / CH2Cl2 / -40 °C 3: HgCl2; Et3N / dimethylformamide / 20 °C 4: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

: 794568-18-6
2,2,2-Trichloro-N-[(1R,2S,5R,6S)-2-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-methyl-5,6-bis-triethylsilanyloxy-1-vinyl-cyclohex-3-enyl]-acetamide

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 16 steps 1.1: selenium dioxide; pyridine N-oxide / dioxane / Heating 1.2: 48 percent / NaBH4; CeCl3*7H2O / methanol / 0 °C 2.1: 2,6-lutidine / CH2Cl2 / 0 °C 2.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C 3.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C 4.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C 5.1: 4-dimethylaminopyridine / pyridine / 20 °C 5.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C 6.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C 7.1: H2O2; NaHCO3 / methanol / 20 °C 8.1: 2,6-lutidine / CH2Cl2 / -40 °C 9.1: pyridine / 20 °C 10.1: tetrabutylammonium fluoride / acetonitrile / 0 °C 10.2: 71 percent / pyridine / 20 °C 11.1: periodic acid / methyl acetate / 20 °C 11.2: camphor sulfonic acid / methanol / 20 °C 12.1: aq. NH3 / methanol / 0 °C 13.1: 2,6-lutidine / CH2Cl2 / 0 °C 14.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C 15.1: HgCl2; Et3N / dimethylformamide / 20 °C 16.1: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

Yield

Multi-step reaction with 16 steps
1.1: selenium dioxide; pyridine N-oxide / dioxane / Heating
1.2: 48 percent / NaBH4; CeCl3*7H2O / methanol / 0 °C
2.1: 2,6-lutidine / CH2Cl2 / 0 °C
2.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C
3.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C
4.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C
5.1: 4-dimethylaminopyridine / pyridine / 20 °C
5.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C
6.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C
7.1: H2O2; NaHCO3 / methanol / 20 °C
8.1: 2,6-lutidine / CH2Cl2 / -40 °C
9.1: pyridine / 20 °C
10.1: tetrabutylammonium fluoride / acetonitrile / 0 °C
10.2: 71 percent / pyridine / 20 °C
11.1: periodic acid / methyl acetate / 20 °C
11.2: camphor sulfonic acid / methanol / 20 °C
12.1: aq. NH3 / methanol / 0 °C
13.1: 2,6-lutidine / CH2Cl2 / 0 °C
14.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C
15.1: HgCl2; Et3N / dimethylformamide / 20 °C
16.1: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme

: 794568-32-4
C25H36Cl3NO12Si

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diisobutylaluminum hydride / CH2Cl2 / -40 °C 2: HgCl2; Et3N / dimethylformamide / 20 °C 3: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

: 794568-30-2
Acetic acid (1R,3S,5S,6S,7R,8R,9S,10S)-3,6,9-triacetoxy-9-acetoxymethyl-8-dimethoxymethyl-7-(2,2,2-trichloro-acetylamino)-2,4-dioxa-tricyclo[3.3.1.13,7]dec-10-yl ester

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: aq. NH3 / methanol / 0 °C 2: 2,6-lutidine / CH2Cl2 / 0 °C 3: diisobutylaluminum hydride / CH2Cl2 / -40 °C 4: HgCl2; Et3N / dimethylformamide / 20 °C 5: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

: 794568-19-7
2,2,2-Trichloro-N-[(1R,2S,5R,6S)-2-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-hydroxymethyl-5,6-bis-triethylsilanyloxy-1-vinyl-cyclohex-3-enyl]-acetamide

: 4368-28-9
tetradotoxin

Conditions

Conditions	Yield
Multi-step reaction with 15 steps 1.1: 2,6-lutidine / CH2Cl2 / 0 °C 1.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C 2.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C 3.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C 4.1: 4-dimethylaminopyridine / pyridine / 20 °C 4.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C 5.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C 6.1: H2O2; NaHCO3 / methanol / 20 °C 7.1: 2,6-lutidine / CH2Cl2 / -40 °C 8.1: pyridine / 20 °C 9.1: tetrabutylammonium fluoride / acetonitrile / 0 °C 9.2: 71 percent / pyridine / 20 °C 10.1: periodic acid / methyl acetate / 20 °C 10.2: camphor sulfonic acid / methanol / 20 °C 11.1: aq. NH3 / methanol / 0 °C 12.1: 2,6-lutidine / CH2Cl2 / 0 °C 13.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C 14.1: HgCl2; Et3N / dimethylformamide / 20 °C 15.1: 36 percent / trifluoroacetic acid / H2O / 20 °C View Scheme

Yield

Multi-step reaction with 15 steps
1.1: 2,6-lutidine / CH2Cl2 / 0 °C
1.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C
2.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C
3.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C
4.1: 4-dimethylaminopyridine / pyridine / 20 °C
4.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C
5.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C
6.1: H2O2; NaHCO3 / methanol / 20 °C
7.1: 2,6-lutidine / CH2Cl2 / -40 °C
8.1: pyridine / 20 °C
9.1: tetrabutylammonium fluoride / acetonitrile / 0 °C
9.2: 71 percent / pyridine / 20 °C
10.1: periodic acid / methyl acetate / 20 °C
10.2: camphor sulfonic acid / methanol / 20 °C
11.1: aq. NH3 / methanol / 0 °C
12.1: 2,6-lutidine / CH2Cl2 / 0 °C
13.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C
14.1: HgCl2; Et3N / dimethylformamide / 20 °C
15.1: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme

Raw Materials

Downstream Products

Total:88 Page 1 of 3 1 2 3 Next>>

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Chemistry

MF: C₁₁H₁₇N₃O₈
MW: 319.27
EINECS: 224-458-8
Product Categories: Living creature toxin;Sodium channel
Mol File: 4368-28-9.mol
storage temp： 2-8°C
solubility： H₂O: stable at pH 4-5 if stored frozensoluble
form： powder
color： white
Merck： 13,9318
Synonyms:FUGU POISON;TTX;TETRODOTOXIN;TETRODOTOXIN, FUGU SPECIES;OCTAHYDRO-12-(HYDROXYMETHYL)-2-IMINO-5,9:7,10A-DIMETHANO-10AH-[1,3]DIOXOCINO[6,5-D]PYRIMIDINE-4,7,10,11,12-PENTOL;10abeta,11s*,12s*))-10alph;12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyri;4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,11s*,12s*))-octahydro-(4r-(4alph
The structure of FUGU POISON is:

Toxicity Data With Reference

1.	orl-mus LD50:435 µg/kg	JJPAAZ Japanese Journal of Pharmacology. 17 (1967),267.
2.	ipr-mus LD50:8 µg/kg	SCIEAS Science. 144 (1964),1100.
3.	scu-mus LD50:8 µg/kg	CTOXAO Clinical Toxicology. 4 (1971),331.
4.	ivn-mus LD50:9 µg/kg	JJPAAZ Japanese Journal of Pharmacology. 17 (1967),267.

Consensus Reports

FUGU POISON(4368-28-9) is reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes： T+
Risk Statements： 26/27/28
Safety Statements： 22-36/37/39-45
RIDADR： UN 3462 6.1/PG 1
WGK Germany： 3
RTECS： IO1450000
F： 10-18
HazardClass： 6.1(a)
PackingGroup： I
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x.

Specification

1、Fire Fighting Measures of FUGU POISON(4368-28-9)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
2、Handling and Storage of FUGU POISON(4368-28-9)
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store in a tightly closed container. Store in a dry area. Poison room locked/refrigerator.