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

Base Information

• Chemical Name: 6-methyl-3,4-dihydro-2H-1,4-benzoxazine
• CAS No.: 71472-57-6
• Molecular Formula: C9H11 N O
• Molecular Weight: 185.65068
• Hs Code.: 2934999090
• European Community (EC) Number: 837-106-9
• DSSTox Substance ID: DTXSID00349481
• Nikkaji Number: J2.374.987D
• Wikidata: Q82124754
• ChEMBL ID: CHEMBL1532888
• Mol file: 71472-57-6.mol

Synonyms:6-methyl-3,4-dihydro-2H-1,4-benzoxazine;71472-57-6;6-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine;6-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE;2H-1,4-Benzoxazine, 3,4-dihydro-6-methyl-;6-METHYL-3,4-DIHYDRO-2H-1,4BEZOXAZINE;MLS000033437;SCHEMBL2933658;CHEMBL1532888;DTXSID00349481;VKWQSTIJYWQSAL-UHFFFAOYSA-N;HMS2439G06;MFCD01935457;VT1288;AKOS000792985;AB10553;MD-0731;AM804267;SMR000007799;CS-0205139;FT-0681717;EN300-178629

Chemical Property of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine

Chemical Property:

• Vapor Pressure: 1-1.1Pa at 25℃
• PSA: 21.26000
• Density: 1.12 at 20℃
• LogP: 1.93730
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99.9% ^*data from raw suppliers

6-Methyl-3,4-dihydro-2H-1,4bezoxazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OCCN2

Technology Process of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine

There total 8 articles about 6-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: 97.0%

2-(2-amino-4-methyl-phenoxy)-ethanol (156564-82-8) → 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (71472-57-6)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate; In toluene; at 110 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Inert atmosphere; Schlenk technique;

Reference yield: 93.0%

6-methyl-4H-benzo[1,4]oxazin-3-one (39522-26-4) → 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (71472-57-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Inert atmosphere; Reflux;

Reference yield: 87.0%

2-(4-methyl-2-nitro-phenoxy)-ethanol (857070-70-3) → 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (71472-57-6)

Guidance literature:

With Ni/SiO₂-Al₂O₃; hydrogen; In 1,3,5-trimethyl-benzene; at 50 - 170 ℃; for 21h; under 5250.53 Torr; Reagent/catalyst; Solvent; Pressure; Temperature; Inert atmosphere; Autoclave;

upstream raw materials:

ethylene dibromide

3-amino-4-hydroxytoluene

6-methyl-4H-benzo[1,4]oxazin-3-one

4-methyl-2-nitrophenol

Downstream raw materials:

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