Home Cart 0 Sign in  

[ CAS No. 1160102-28-2 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1160102-28-2
Chemical Structure| 1160102-28-2
Structure of 1160102-28-2 * Storage: {[proInfo.prStorage]}

Quality Control of [ 1160102-28-2 ]

Related Doc. of [ 1160102-28-2 ]

SDS
Alternatived Products of [ 1160102-28-2 ]
Alternatived Products of [ 1160102-28-2 ]

Product Details of [ 1160102-28-2 ]

CAS No. :1160102-28-2 MDL No. :MFCD20441785
Formula : C8H7BrFNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :232.05 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1160102-28-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1160102-28-2 ]

  • Downstream synthetic route of [ 1160102-28-2 ]

[ 1160102-28-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1160102-28-2 ]
  • [ 6160-65-2 ]
  • [ 1160102-29-3 ]
YieldReaction ConditionsOperation in experiment
100% Stage #1: 6-bromo-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine; 1,1'-Thiocarbonyldiimidazole In tetrahydrofuran at 120℃; for 0.266667h; Microwave irradiation; Stage #2: With ammonia In tetrahydrofuran; methanol at 20℃; for 3h; 11 INTERMEDIATE 116-Bromo-7-fluoro-2,3-dihvdrobenzo[l,4]oxazine-4-carbothioic acid amideA mixture of Intermediate 9 (0.9 g, 3.90 mmol) and l,l'-thiocarbonyldiimidazole (1.25 g, 7.02 mmol) in THF (15 mL) was divided into two batches. Each batch was heated to 1200C under microwave irradiation for 16 minutes. After cooling to room temperature, they were recombined, poured into NH3 (50 mL of a 2N solution in methanol, 0.1 mol) and stirred for 3 h. The reaction mixture was then concentrated in vacuo. The resulting residue was washed with 2N HCl (50 mL), water (50 mL) and a mixture of ether and heptane (50 mL), then dried in vacuo to give the title compound (1.4 g, quantitative) as an off-white solid. LCMS (ES+) 292, 294 (M+H)+, RT 3.04 minutes (Method 1).
  • 2
  • [ 355423-58-4 ]
  • [ 1160102-28-2 ]
YieldReaction ConditionsOperation in experiment
70% Stage #1: 6-bromo-7-fluoro-4H-benzo[1,4]oxazin-3-one With borane-THF In tetrahydrofuran at 20℃; for 2.08333h; Heating / reflux; Stage #2: With water In tetrahydrofuran at 20℃; 9 INTERMEDIATE 96-Bromo-7-fluoro-3,4-dihvdro-2H-benzo[ 1 ,4]oxazineTo a solution of Intermediate 7 (2.7 g, 11.0 mmol) in TηF (30 mL) was added borane-TηF (16.5 mL of a IM solution in TηF, 16.5 mmol). The mixture was stirred at r.t. for 5 minutes, then heated to reflux for 2 h. After cooling to r.t. it was quenched with water (30 mL) and then concentrated in vacuo. The resulting residue was partitioned between DCM (10O mL) and water (10O mL). The organic fraction was washed with brine (100 mL), dried (MgSO4) and concentrated in vacuo to give the title compound (1.8 g, 70%) as a colourless oil. δη (CDCl3) 6.72 (IH, d, J6.8 Hz), 6.60 (IH, J 9.2 Hz), 4.19- 4.28 (2H, m), 3.68 (IH, br s), 3.33-3.42 (2H, m).
  • 3
  • [ 1160102-28-2 ]
  • [ 74-88-4 ]
  • 6-bromo-7-fluoro-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% Stage #1: 6-bromo-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; A.1.91.3 A. 1.91.3. 6-Bromo-7-fluoro-4-methyl-3,4-dihydro-2H-benzo[b][1 ,4]oxazine To a cooled (0°C) suspension of sodium hydride (60% dispersion in mineral oil, 194 mg, 4.84 mmol) ) in anh. DMF (15 mL) is added a solution of 6-bromo-7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine (1.00 g,3.72 mmol) in anh. DMF (10 mL). The mixture is stirred at 0°C for 15 mm., and iodomethane (0.937 mL,14.90 mmol) is then added. The RM is stirred at 0°C for 15 mm., and then at RT overnight. Water and Et20 are added and the layers are separated. The aqueous layer is extracted twice with Et20 and the combined organic layers are washed with water, dried over anh. MgSO4, filtered and concentrated under reduced pressure. Purification by FC (heptane/DCM = 1/1) affords 6-bromo-7-fluoro-4-methyl-3,4-dihydro-2H-benzo[b][1 ,4]oxazine as a yellow oil (311 mg, 34%). LC-MS A: tR = 0.89 mm; no ionization.
Historical Records

Related Functional Groups of
[ 1160102-28-2 ]

Fluorinated Building Blocks

Chemical Structure| 1256256-00-4

[ 1256256-00-4 ]

6-Bromo-5-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.95

Chemical Structure| 355423-58-4

[ 355423-58-4 ]

6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

Similarity: 0.86

Chemical Structure| 1256255-94-3

[ 1256255-94-3 ]

6-Bromo-8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.85

Chemical Structure| 56346-41-9

[ 56346-41-9 ]

7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.83

Chemical Structure| 1029421-36-0

[ 1029421-36-0 ]

6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.82

Bromides

Chemical Structure| 1256256-00-4

[ 1256256-00-4 ]

6-Bromo-5-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.95

Chemical Structure| 355423-58-4

[ 355423-58-4 ]

6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

Similarity: 0.86

Chemical Structure| 1256255-94-3

[ 1256255-94-3 ]

6-Bromo-8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.85

Chemical Structure| 105655-01-4

[ 105655-01-4 ]

6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.83

Chemical Structure| 1029421-36-0

[ 1029421-36-0 ]

6-Bromo-5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.82

Related Parent Nucleus of
[ 1160102-28-2 ]

Other Aromatic Heterocycles

Chemical Structure| 1256256-00-4

[ 1256256-00-4 ]

6-Bromo-5-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.95

Chemical Structure| 355423-58-4

[ 355423-58-4 ]

6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

Similarity: 0.86

Chemical Structure| 1256255-94-3

[ 1256255-94-3 ]

6-Bromo-8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.85

Chemical Structure| 56346-41-9

[ 56346-41-9 ]

7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.83

Chemical Structure| 105655-01-4

[ 105655-01-4 ]

6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine

Similarity: 0.83