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Tricyclazole

Tricyclazole structure

CAS No:
41814-78-2
Formula:
C9H7N3S
Chemical Name:
Tricyclazole
Synonyms:
1,2,4-Triazolo[3,4-b]benzothiazole,5-methyl-;5-Methyl-1,2,4-triazolo[3,4-b]benzothiazole;Tricyclazole;EL 291;Beam;Elanco 291;MTB;Sivic;Dhanteam;Baan;Gain (pesticide);Gain;1135442-75-9
Categories:
Agrochemicals > Fungicides

Description

ChEBI: A triazolobenzothiazole that is [1,2,4]triazolo[3,4-b][1,3]benzothiazole which is substituted at position 5 by a methyl group. A fungicide used for the control of rice blast, it is not approved for use within the European Union.

Solid

Tricyclazole is a triazolobenzothiazole that is [1,2,4]triazolo[3,4-b][1,3]benzothiazole which is substituted at position 5 by a methyl group. A fungicide used for the control of rice blast, it is not approved for use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a conjugate base of a 5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium.

Tricyclazole Basic Attributes

Molecular Weight：

189.24

Exact Mass：

189.24

EC Number：

255-559-5

UNII：

R7U3MEU7VR

DSSTox ID：

DTXSID7037478

HScode：

29349990

Characteristics

PSA：

58.4

XLogP3：

1.70

Appearance：

Solid

Density：

1.2292 (rough estimate)

Melting Point：

187 °C

Boiling Point：

275 °C

Water Solubility：

1.6g/L(25 ºC)

Storage Conditions：

0-6°C

Vapor Pressure：

2.00e-07 mmHg

Toxicity：

Oral-rat LD50: 250 mg/kg; Oral-Mouse LD50: 245 mg/kg

Flammability characteristics：

Thermal decomposition of toxic nitrogen oxide and sulfur oxide gases

Safety Information

Hazard category：

6.1(a)

Transport codes：

2588

wgk germany：

hazard class code：

RTECS Number：

XZ5475000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Danger|H301 (20.45%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P301+P312, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 269 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P301+P310, P314, P321, P330, P405, and P501

Toxicity

Toxicity class：

highly toxic

Mobility：

1.23e+03 L/kg

Drug Information

MeSH Entry Terms：

tricyclazole

Tricyclazole Use and Manufacturing

Methods of Manufacturing

Using o-toluidine and other materials as raw materials, tricyclazole is prepared through four-step reaction of addition, ring closure, substitution and ring expansion. Addition reaction: Add o-toluidine in the presence of a solvent, add sulfuric acid, and then add sodium thiocyanate to warm the reaction. After recovering the solvent, cooling, filtering, drying and other post-treatments, o-methylphenylthiourea is obtained, mp154～160℃, yield 93%～95%. Ring closure reaction In the presence of a solvent, react o-methylphenylthiourea with chlorine, paying attention to control the reaction temperature. After the end of the heat preservation reaction, the solvent is recovered, neutralized with alkali, cooled, filtered, and dried to obtain 2-amino-4-methylbenzothiazole. mp134～136℃, yield 90%～91%. Substitution reaction After mixing an appropriate amount of solvent, hydrochloric acid and water, 2-amino-4-methylbenzothiazole is added to react with the hydrochloride salt of hydrazine, and the reaction is warmed to the end. After cooling, filtering and drying, 2-hydrazino is obtained -4-methylbenzothiazole. mp 167～170℃, yield 85%～87%. Ring expansion reaction: Add 2-hydrazino-4-methylbenzothiazole to a reaction kettle with a certain amount of solvent and formic acid under stirring, heat up to the end of the reaction, recover the solvent and excess formic acid under reduced pressure, and add water to dilute and cool , Filter, wash to neutrality, spin dry and dry to get the tricyclazole original medicine. mp 184～186℃, yield 90%～93%.

Uses

Tricyclazole is an common active ingredient in several commercial fungicide products used to control rice blast fungus, in transplanted and direct-seeded rice.

Manufacturing Info：

1,2,4-Triazolo[3,4-b]benzothiazole, 5-methyl-: ACTIVE

Use Classification：

Agrochemicals -> Fungicides

Computed Properties

Molecular Weight:189.24
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Exact Mass:189.03606841
Monoisotopic Mass:189.03606841
Topological Polar Surface Area:58.4
Heavy Atom Count:13
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formic acid

Sulfuric acid

o-Toluidine

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