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

Base Information

• Chemical Name: 7-methyl-3,4-dihydro-2H-1,4-benzoxazine
• CAS No.: 71472-58-7
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.192
• Hs Code.: 2934999090
• European Community (EC) Number: 811-225-6
• DSSTox Substance ID: DTXSID101277699
• Nikkaji Number: J2.374.988B
• Mol file: 71472-58-7.mol

Synonyms:7-methyl-3,4-dihydro-2H-1,4-benzoxazine;71472-58-7;7-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine;7-methyl-3,4-dihydro-2H-benzo[1,4]oxazine;MFCD17014030;SCHEMBL169808;HHFJHCXBGHXHLU-UHFFFAOYSA-N;DTXSID101277699;WCA47258;AC6673;AKOS006348511;CCG-321314;CY-0026;SY130742;CS-0199216;EN300-86154;3,4-dihydro-7-methyl-2H-benzo[b][1,4]oxazine;A917994;Z1203731551

Chemical Property of 7-methyl-3,4-dihydro-2H-1,4-benzoxazine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

7-methyl-3,4-dihydro-2H-1,4-benzoxazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NCCO2

Technology Process of 7-methyl-3,4-dihydro-2H-1,4-benzoxazine

There total 22 articles about 7-methyl-3,4-dihydro-2H-1,4-benzoxazine 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: 100.0%

2-(2-amino-5-methylphenoxy)ethanol → 3,4-dihydro-7-methyl-2H-1,4-benzoxazine (71472-58-7)

Guidance literature:

With Raney Nickel; at 123 - 170 ℃; for 6h; under 3.0003 - 4.50045 Torr; Reagent/catalyst; Temperature; Time;

Reference yield: 99.0%

7-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazine (39522-25-3) → 3,4-dihydro-7-methyl-2H-1,4-benzoxazine (71472-58-7)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 60 ℃; for 16h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 98.9%

4-benzoyl-7-methyl-3,4-dihydro-2H-benzo[1,4]oxazine (71472-56-5) → 3,4-dihydro-7-methyl-2H-1,4-benzoxazine (71472-58-7)

Guidance literature:

With water; sodium hydroxide; for 25.5h; Reagent/catalyst; Reflux; Inert atmosphere;

upstream raw materials:

4-benzoyl-7-methyl-3,4-dihydro-2H-benzo[1,4]oxazine

4-acetyl-7-methyl-3,4-dihydro-2H-benzo[1,4]oxazine

2-Hydroxy-4-methylanilin

ethylene dibromide

Downstream raw materials:

(7-methyl-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetic acid benzyl ester

C₁₉H₁₆BrNO₂