ChemicalBook > CAS DataBase List > OTAVA-BB 1217676

OTAVA-BB 1217676

Product Name: OTAVA-BB 1217676
CAS No.: 120711-81-1
Chemical Name: OTAVA-BB 1217676
Synonyms: OTAVA-BB 1217676;7-Nitro-3,4-dihydrobenzo[1,4]oxazine;7-Nitro-3,4-dihydro-2H-1,4-benzoxazine;7-Nitro-3,4-dihydro-2H-1,4-benzooxazine;2H-1,4-Benzoxazine, 3,4-dihydro-7-nitro-;7-Nitro-3,4-dihydro-2H-benzo[1,4]oxazine;7-Nitro-3,4-dihydro-2H-1,4-benzoxazine,97%;3,4-Dihydro-7-nitro-2H-benzo[b][1,4]oxazine;7-NITRO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE
CBNumber: CB22465553
Molecular Formula: C8H8N2O3
Formula Weight: 180.16
MOL File: 120711-81-1.mol

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OTAVA-BB 1217676 Property

Melting point:: 187-188°
Boiling point:: 341.6±42.0 °C(Predicted)
Density: 1.332±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 0.23±0.20(Predicted)
Appearance: Light yellow to yellow Solid
Water Solubility: Sparingly soluble in water (0.76 g/L at 25°C).
CAS DataBase Reference: 120711-81-1

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Safety

Hazard Codes: T
Risk Statements: 25
Safety Statements: 45
RIDADR: UN 2811 6.1 / PGIII
HazardClass: IRRITANT
HS Code: 2934999090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Danger
Hazard statements: H301Toxic if swalloed
Precautionary statements: P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: VBP00107
Product name: 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine
Packaging: 1g
Price: $463
Updated: 2023/06/20

TRC

Product number: N900985
Product name: 7-Nitro-3,4-dihydro-2H-1,4-benzooxazine
Packaging: 50mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: OR904351
Product name: 7-Nitro-3,4-dihydro-2H-1,4-benzoxazine
Packaging: 1g
Price: $291
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0391661
Product name: 7-NITRO-3,4-DIHYDRO-2H-1,4-BENZOOXAZINE
Purity: 95.00%
Packaging: 5MG
Price: $496.07
Updated: 2021/12/16

AK Scientific

Product number: X9435
Product name: 7-Nitro-3,4-dihydro-2H-1,4-benzooxazine
Packaging: 5g
Price: $577
Updated: 2021/12/16

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OTAVA-BB 1217676 Chemical Properties,Usage,Production

Uses

7-Nitro-3,4-dihydro-2H-1,4-benzooxazine can be used as pain drugs to prevent and treat chronic pain.

Synthesis

81721-86-0

120711-81-1

The general procedure for the synthesis of 7-nitro-3,4-dihydro-2H-1,4-benzisoxazin-3-one from 7-nitro-2H-1,4-benzisoxazin-3-one was as follows: 7-nitro-4H-benzo[1,4]oxazin-3-one (2.00 g, 10.3 mmol) was dissolved in tetrahydrofuran (THF, 10 mL), and borane-THF complex was added subsequently ( 1.0 M solution of THF, 35 mL). The reaction mixture was heated to reflux for 30 min, then cooled to 0 °C and the reaction was quenched with 1 N hydrochloric acid (20 mL). After continued stirring for 30 min, the reaction solution was concentrated to 1/10 of the original volume. the orange solid product was collected by filtration, washed with water and dried under vacuum to afford 7-nitro-3,4-dihydro-2H-1,4-benzisoxazine (1.66 g, 89% yield). The mass spectrum (electrospray positive ion mode) showed m/z 181.1 ([M+H]+) and the mass spectrum (electrospray negative ion mode) showed m/z 179.2 ([M-H]-).1H NMR (400 MHz, DMSO-d6) data were as follows: δ 7.68 (dd, 1H, J = 8.8, 2.6 Hz), 7.53 (s, 1H), 7.47 (d , 1H, J = 2.6 Hz), 6.63 (d, 1H, J = 9.2 Hz), 4.15 (t, 2H, J = 4.4 Hz), 3.44-3.40 (m, 2H).

References

[1] Journal of Medicinal Chemistry, 2007, vol. 50, # 10, p. 2486 - 2496
[2] Patent: WO2006/66174, 2006, A1. Location in patent: Page/Page column 52-53
[3] Patent: US2010/9975, 2010, A1. Location in patent: Page/Page column 35
[4] Journal of the American Chemical Society, 2014, vol. 136, # 38, p. 13277 - 13282
[5] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 13, p. 3821 - 3830

OTAVA-BB 1217676 Preparation Products And Raw materials

Raw materials

Preparation Products

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120711-81-1, OTAVA-BB 1217676Related Search:

7-NITRO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE

OTAVA-BB 1217676

7-Nitro-3,4-dihydro-2H-1,4-benzoxazine

7-Nitro-3,4-dihydro-2H-1,4-benzooxazine

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120711-81-1