Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate

Base Information

• Chemical Name: Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate
• CAS No.: 538342-16-4
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.186
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30705314
• Nikkaji Number: J1.901.866K
• Wikidata: Q82638141
• Mol file: 538342-16-4.mol

Synonyms:Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate;538342-16-4;Methyl 4H-1,2-benzoxazine-3-carboxylate;SCHEMBL8482200;DTXSID30705314;AKOS006346322;Methyl4H-benzo[e][1,2]oxazine-3-carboxylate;4H-1,2-Benzoxazine-3-carboxylic acid methyl ester

Chemical Property of Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate

Chemical Property:

• PSA: 47.89000
• LogP: 0.58610
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 262

Purity/Quality:

95% ^*data from raw suppliers

Methyl4H-benzo[e][1,2]oxazine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NOC2=CC=CC=C2C1

Technology Process of Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate

There total 9 articles about Methyl 4H-benzo[e][1,2]oxazine-3-carboxylate 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: 85.0%

Methyl α-nitro-β-phenylpropionate (40149-56-2) → 3-methoxycarbonyl-4H-1,2-benzoxazine (538342-16-4)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform; at 50 ℃; for 0.5h;

DOI:10.1021/ja0343151

Reference yield: 67.0%

Methyl α-nitro-β-phenylpropionate (40149-56-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → methyl 3-biphenyl-4-yl-2-hydroxyiminopropionate + 3-biphenyl-2-yl-2-hydroxyimino-propionic acid methyl ester + 3-methoxycarbonyl-4H-1,2-benzoxazine (538342-16-4)

Guidance literature:

trifluorormethanesulfonic acid; at 20 ℃;

DOI:10.1021/ja067682w

Reference yield: 50.0%

Methyl α-nitro-β-phenylpropionate (40149-56-2) + 1,3,5-trimethyl-benzene (108-67-8) → methyl 2-hydroxyimino-3-(2',4',6'-trimethylbiphenyl-4-yl)propionate + 3-methoxycarbonyl-4H-1,2-benzoxazine (538342-16-4)

Guidance literature:

trifluorormethanesulfonic acid; at 20 ℃;

DOI:10.1021/ja067682w

upstream raw materials:

Methyl α-nitro-β-phenylpropionate

1,3,5-trimethyl-benzene

benzene

α-nitro cinnamate de methyle E

Downstream raw materials:

flavan

methyl 3-(2-hydroxyphenyl)propionate

3-benzyl-3,4-dihydro-2H-benzo[e][1,3]oxazine

2-((phenylamino)methyl)phenol