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(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine | CAS No. 187235-37-6

(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Basic Information

Chemical_Structure_Of
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CAS Number

187235-37-6

Molecular Formula

C14H12F3N3O5

Molecular Weight

359.26 g/mol

AD

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

Basic Physical Properties

Melting Point

148.0 to 152.0 deg-C

SMILES

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[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F

InChI

InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1

InChIKey

ZLHZLMOSPGACSZ-NSHDSACASA-N

LogP

3.19090

Complexity

468

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

  • 5H-Imidazo[2,1-b][1,3]oxazine, 6,7-dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-, (6S)-
  • PA-824
  • (S)-PA 824
  • (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  • (S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  • 5H-Imidazo[2,1-b][1,3]oxazine, 6,7-dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-, (...
  • pretomanid
  • (S)-6-(4-(trifluoromethoxy)benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  • PA824
  • UNII-2XOI31YC4N
  • 2-NITRO-6(S)-[4-(TRIFLUOROMETHOXY)BENZYLOXY]-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZINE
  • (6S)- 6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-Imidazo[2,1-b][1,3]oxazine
  • (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  • (S)-2-Nitro-6-[[4-(trifluoromethoxy)benzyl]oxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  • (S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine
  • EOS-60675
  • (6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine PA-824
  • PA 824
  • 2XOI31YC4N
  • MMV688755
  • (6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine
  • Pretomanid [USAN:INN]
  • C14H12F3N3O5
  • AK161427
  • Pretomanid (USAN/INN)
  • ML
  • Pretomanid
  • (S)-2-nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

MDL Number

MFCD06809939

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CAS: 187235-37-6)?
(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is a crystalline solid with a molecular weight of approximately 438.37 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. The compound is characterized by its high reactivity towards nucleophiles and electrophiles, particularly due to the nitro and trifluoromethoxy groups.

How is (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CAS: 187235-37-6) typically synthesized?
(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine can be synthesized via a multi-step process involving the protection of the imidazole ring, introduction of the nitro and trifluoromethoxy groups, followed by deprotection and ring closure. Commonly used catalysts include acid catalysts such as trifluoroacetic acid, and the process typically yields the desired product with good selectivity.

What industries use (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CAS: 187235-37-6)?
(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is primarily used in the pharmaceutical industry for the development of new drug candidates, particularly in the areas of anti-inflammatory and antiviral treatments. It also finds applications in the production of sensors and semiconductors, where its unique chemical structure can contribute to enhanced performance.

What precautions should be taken when handling (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CAS: 187235-37-6)?
When handling (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be handled with appropriate absorbent materials, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed information on handling and disposal.

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(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine — HuBeiShiShun Biotechnology Co Ltd

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(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine — HePeng （ ShangHai ） Biotechnology Co Ltd

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(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine — ShangHaiMaiRuiErShengHua Technology Co Ltd

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(6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine — HuBeiJiFeiYiYao Chemical Co Ltd

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