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

Base Information

• Chemical Name: 6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine
• CAS No.: 105655-00-3
• Molecular Formula: C8H8 F N O
• Molecular Weight: 153.156
• Hs Code.: 2934999090
• European Community (EC) Number: 845-787-9
• DSSTox Substance ID: DTXSID60585702
• Nikkaji Number: J2.374.992K
• Wikidata: Q82477689
• Mol file: 105655-00-3.mol

Synonyms:105655-00-3;6-FLUORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE;6-fluoro-3,4-dihydro-2H-1,4-benzoxazine;6-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine;MFCD08544340;6-FLUORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE;SCHEMBL2599652;DTXSID60585702;FQKORLPTBCMNGR-UHFFFAOYSA-N;AKOS006290981;AB45774;FS-2866;SY045510;AM20020156;CS-0128601;EN300-104578;A847063;J-518716;6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazinehydrochloride

Chemical Property of 6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine

Chemical Property:

• PSA: 21.26000
• LogP: 1.76800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.058992041
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98% ^*data from raw suppliers

6-Fluoro-3,4-dihydro-2h-benzo[1,4]oxazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(N1)C=C(C=C2)F

Technology Process of 6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine

There total 6 articles about 6-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

→ 6-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine (105655-00-3)

Guidance literature:

Reference yield: 87.0%

6-fluoro-2H-1,4-benzoxazin-3(4H)-one (398-63-0) → 6-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine (105655-00-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ardp.201800024

Reference yield:

2-nitro-4-fluorophenol (394-33-2) → 6-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine (105655-00-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetone / 3 h / Reflux

2.1: acetic acid; iron / 20 °C

2.2: pH 7

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C

With lithium aluminium tetrahydride; iron; potassium carbonate; acetic acid; In tetrahydrofuran; acetone;

upstream raw materials:

2-amino-4-fluorophenol

ethylene dibromide

6-fluoro-2H-1,4-benzoxazin-3(4H)-one

2-nitro-4-fluorophenol

Downstream raw materials:

5-benzyloxyadamantan-2-yl 6-fluoro-2,3-dihydro-4H-1,4-benzoxazine-4-carboxylate

6-fluoro-4-[5-(3-morpholinophenoxy)pyrimidin-2-yl]-3,4-dihydro-2H-benzo[1,4]oxazine

4-(2-cyano-4-(trifluoromethyl)phenyl)-6-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonyl chloride

4-(2-cyano-4-(trifluoromethyl)phenyl)-6-fluoro-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide