Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Basic Information

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CAS Number

1533519-85-5

Molecular Formula

C18H17N3O2S

Molecular Weight

339.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC(=O)CSc1nncn1c1ccc(c2c1cccc2)C1CC1

InChI

InChI=1S/C18H17N3O2S/c1-23-17(22)10-24-18-20-19-11-21(18)16-9-8-13(12-6-7-12)14-4-2-3-5-15(14)16/h2-5,8-9,11-12H,6-7,10H2,1H3

InChIKey

COTUIISAXUDHPP-UHFFFAOYSA-N

LogP

3.5630000000000024

Topological Polar Surface Area

57.01 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

460

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Lesinurad int
2-[[4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, methyl ester
Methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetate
Methyl 2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
Methyl 2-(4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetate
Lesinurad intermediate
Lesinurad Impurity 11
BCP11541
AK200811
methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate

MDL Number

MFCD28404620

FAQ

What are the physical and chemical properties of Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is a white crystalline solid with a molecular weight of approximately 411.46 g/mol. It has limited water solubility but is soluble in common organic solvents like acetone and dichloromethane. The compound is known for its moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal environmental conditions but should be stored away from moisture and direct sunlight.

How is Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5) typically synthesized?

Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is synthesized via a multi-step process involving the coupling of a naphthyl derivative with a triazole and subsequent acetylation. The reaction typically requires the use of a suitable base and a protective group for the sulfhydryl group to ensure high selectivity. The final product is obtained with good yield, around 70-80%, depending on the purity of the starting materials and the efficiency of the purification steps.

What industries use Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is used in various industries, including pharmaceuticals, where it serves as a precursor for drug development. It is also utilized in the synthesis of certain polymers and in electronic applications due to its unique chemical structure, which can influence the properties of materials used in semiconductors and sensors.

What precautions should be taken when handling Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

When handling Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5), it is important to use appropriate Personal Protective Equipment (PPE), including gloves, goggles, and laboratory coats. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation exposure. In case of a spill, neutralize the area with appropriate absorbents and follow local safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate | CAS No. 1533519-85-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

How is Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5) typically synthesized?

What industries use Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

What precautions should be taken when handling Methyl {[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS: 1533519-85-5)?

Related Compounds

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Supplier Information

ShangHaiRuiFu Chemical Co Ltd

Beijing Xiangyu Hengtian Medicine Technology Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

Hubei Shixing Chemical Co., Ltd.

Yixing City Lingshuo Commerce and Trade Co., Ltd.

Jiangsu Pules Bio-tech Co.,Ltd

Nantong Zhonghe Chemical New Materials Co., Ltd.

ShangHaiLingKaiYiYao Technology Co Ltd

Shanghai Jieshukai Biotechnology Co., Ltd.

ShangHaiJiZhiShengHua Technology Co Ltd

Nantong Airei Chemical Pharmaceutical Co., Ltd.

Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

Shanghai Ailianying Trade Co., Ltd.

ShangHaiMaiKeLinShengHuaKeJi Inc

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