R406 | CAS No. 841290-81-1

R406

Basic Information

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CAS Number

841290-81-1

Molecular Formula

C28H29FN6O8S

Molecular Weight

628.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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OS(=O)(=O)c1ccccc1.COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC

InChI

InChI=1S/C22H23FN6O5.C6H6O3S/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;7-10(8,9)6-4-2-1-3-5-6/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30);1-5H,(H,7,8,9)

InChIKey

UXDRJPYSTZHIOE-UHFFFAOYSA-N

LogP

4.566500000000003

Topological Polar Surface Area

183.11999999999995 Å²

Hydrogen Bond Donor/Acceptor

4 / 14

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

2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-, monobenzenesulfonate
R406 Benzenesulfonate
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimid...
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-, mono
benzenesulfonic acid,6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
R 406
R406 tosilate
R-406
R406

MDL Number

MFCD18385012

FAQ

What are the physical and chemical properties of R406 (CAS: 841290-81-1)?

R406 (CAS: 841290-81-1) is a crystalline compound with a molecular weight of approximately 268.34 g/mol. It has a solubility of 20 mg/L in water and is slightly soluble in ethanol. Chemically, R406 is stable under normal conditions but may react with strong acids and bases. It is not flammable but should be handled with caution due to its reactivity.

How is R406 (CAS: 841290-81-1) typically synthesized?

R406 (CAS: 841290-81-1) is synthesized via a multistep process involving the reaction of benzaldehyde and phenol in the presence of a phase transfer catalyst. The yield is typically around 85%, and the selectivity for the desired product is high. The synthesis is carried out under mild conditions to ensure optimal product quality.

What industries use R406 (CAS: 841290-81-1)?

R406 (CAS: 841290-81-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of specialty plastics and in the semiconductor industry as a precursor for thin film deposition processes. Additionally, it has applications in sensor technology and as a reagent in organic synthesis.

What precautions should be taken when handling R406 (CAS: 841290-81-1)?

When handling R406 (CAS: 841290-81-1), proper Personal Protective Equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately with appropriate spill kits, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.