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

Base Information

• Chemical Name: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
• CAS No.: 499770-73-9
• Molecular Formula: C₁₀H₁₀ClNO₂
• Molecular Weight: 211.648
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30383616
• Wikidata: Q82175404
• Mol file: 499770-73-9.mol

Synonyms:4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride;499770-73-9;4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride;SCHEMBL1022827;DTXSID30383616;4-Methyl-2,3-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride;4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBONYLCHLORIDE;4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonyl chloride;J-515737;4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 4.64E-05mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.568
• Boiling Point: 349.6°Cat760mmHg
• Flash Point: 165.2°C
• PSA: 29.54000
• Density: 1.284g/cm³
• LogP: 1.95920
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 211.0400063
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-2,3-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCOC2=C1C=CC(=C2)C(=O)Cl

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

There total 2 articles about 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride 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:

C11H13NO3 → C10H10ClNO2 (499770-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; water / 2 h / Reflux

2: thionyl chloride / 2 h / Reflux

With thionyl chloride; sodium hydroxide; In methanol; water;

DOI:10.1016/j.ejmech.2017.02.044

Reference yield:

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid (532391-89-2) → C10H10ClNO2 (499770-73-9)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1016/j.ejmech.2017.02.044

Reference yield:

C10H10ClNO2 (499770-73-9) → N-{4-[1-(2-carbamimidoylhydrazono)ethyl]phenyl}-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

2: lithium chloride / ethanol / Reflux

With potassium carbonate; lithium chloride; In tetrahydrofuran; ethanol;

DOI:10.1016/j.ejmech.2017.02.044

upstream raw materials:

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid

Refernces