2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide

Basic Information

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CAS Number

1206896-20-9

Molecular Formula

C13H17ClN2O4S

Molecular Weight

332.81 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)C1=NC2=C(O1)C(=C(C=C2)Cl)S(=O)(=O)N(C)OC

InChI

InChI=1S/C13H17ClN2O4S/c1-13(2,3)12-15-9-7-6-8(14)11(10(9)20-12)21(17,18)16(4)19-5/h6-7H,1-5H3

InChIKey

ALPWDUCGTAPWMC-UHFFFAOYSA-N

LogP

2.9606000000000012

Topological Polar Surface Area

72.64 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

474

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

2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide
2-tert-butyl-6-chloro-N-methoxy-N-methyl-1,3-benzoxazole-7-sulfonamide
7-Benzoxazolesulfonamide, 6-chloro-2-(1,1-dimethylethyl)-N-methoxy-N-methyl-
AK142686
2-t-Butyl-6-chlorobenzoxazole-7-(N-Methyl-N-Methoxy)sulfonaMide
ALPWDUCGTAPWMC-UHFFFAOYSA-N
BCP15599
AX8282498
2-tert-Butyl-6-chloro-benzooxazole-7-sulfonic acid methoxy-methyl-amide
DS-6526
DTXSID10857067
MFCD27923096
AKOS022175081
CS-W000623
AMY23995
F11626
1206896-20-9
SCHEMBL1579291
SY117485
A892131

MDL Number

MFCD27923096

FAQ

What are the physical and chemical properties of 2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide (CAS: 1206896-20-9)?

2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide is a crystalline compound with a molecular weight of approximately 428.23 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and acetonitrile. The compound is moderately reactive with bases and can undergo hydrolysis under basic conditions. Its chemical stability is generally good, but it should be stored in a cool, dry place away from moisture and strong acids.

How is 2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide (CAS: 1206896-20-9) typically synthesized?

2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide is typically synthesized through a multi-step process involving chlorination of benzo[d]oxazole, followed by methylation and methoximation. This synthesis requires careful control of reaction conditions to ensure high selectivity and yield. Commonly used catalysts include organometallic reagents like tin(II) chloride, and the reaction is usually carried out in anhydrous conditions to minimize side reactions.

What industries use 2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide (CAS: 1206896-20-9)?

2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide is primarily used in the pharmaceutical industry for the development of new drugs. Its unique chemical structure makes it a valuable intermediate in the synthesis of various bioactive compounds. Additionally, it has potential applications in the polymer industry for the development of novel materials with specific chemical properties. Some researchers are also exploring its use in sensor technologies and as a component in semiconductor devices.

What precautions should be taken when handling 2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide (CAS: 1206896-20-9)?

When handling 2-(tert-Butyl)-6-chloro-N-methoxy-N-methylbenzo[d]oxazole-7-sulfonamide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye exposure. This compound should be stored in a fume hood and away from strong acids and bases to prevent unwanted reactions. In the event of a spill, it is recommended to use appropriate spill cleanup procedures and dispose of the waste in compliance with local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.