methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate

Base Information

• Chemical Name: methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate
• CAS No.: 82756-71-6
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID101002870
• Wikidata: Q82997202
• Mol file: 82756-71-6.mol

Synonyms:methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate;SCHEMBL8562493;DTXSID101002870

Chemical Property of methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate

Chemical Property:

• Vapor Pressure: 0.000483mmHg at 25°C
• Boiling Point: 313.9°Cat760mmHg
• Flash Point: 143.6°C
• PSA: 47.56000
• Density: 1.2g/cm³
• LogP: 1.17050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CNC2=CC=CC=C2O1
• Isomeric SMILES: COC(=O)[C@H]1CNC2=CC=CC=C2O1

Technology Process of methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate

There total 1 articles about methyl (9R)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-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: 70.0%

Methyl 2,3-dibromopropionate (1729-67-5) + 2-amino-phenol (95-55-6) → 3,4-Dihydro-2H-1,4-benzoxazin-2-carbnsaeuremethylester (82756-71-6)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1002/ardp.19823150611

Reference yield: 97.0%

acetic anhydride (108-24-7) + 3,4-Dihydro-2H-1,4-benzoxazin-2-carbnsaeuremethylester (82756-71-6) → 4-Acetoxy-3,4-dihydro-2H-1,4-benzoxazin-2-carbonsaeuremethylester (3640-49-1)

Guidance literature:

With pyridine; at 20 ℃; for 16h;

DOI:10.1002/ardp.19823150611

Reference yield: 95.0%

p-toluenesulfonyl chloride (98-59-9) + 3,4-Dihydro-2H-1,4-benzoxazin-2-carbnsaeuremethylester (82756-71-6) → 3,4-dihydro-4-tosyl-2H-1,4-benzoxazin-2-carbonsaeuremethylester (86267-83-6)

Guidance literature:

In pyridine; for 15h; Ambient temperature;

upstream raw materials:

Methyl 2,3-dibromopropionate

2-amino-phenol

Downstream raw materials:

Benzomorpholin-carbonsaeure-(2)-piperidid

4-Acetoxy-3,4-dihydro-2H-1,4-benzoxazin-2-carbonsaeuremethylester

Benzomorpholin-2-carbonsaeure-aethylamid

3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid methylamide

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