(3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine

Base Information

• Chemical Name: (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine
• CAS No.: 102908-68-9
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.20708
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90441665
• Mol file: 102908-68-9.mol

Synonyms:102908-68-9;(3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine;1-(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methanamine;3,4-DIHYDRO-2H-1,4-BENZOXAZIN-2-YLMETHANAMINE;MFCD09800578;SCHEMBL2638179;DTXSID90441665;IGINVTLDGILHIM-UHFFFAOYSA-N;BCP23764;CEA90868;AKOS010394293;AS-43358;FT-0730235;A23344;3,4-Dihydro-2H-1,4-benzoxazine-2-methanamine;2-aminomethyl-3,4-dihydro-2H-benzo[1,4]oxazine;W-204469

Chemical Property of (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 312.178 °C at 760 mmHg
• PKA: 8.89±0.29(Predicted)
• Flash Point: 142.6 °C
• PSA: 47.28000
• Density: 1.109 g/cm³
• LogP: 1.65650
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99%, ^*data from raw suppliers

1-(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2N1)CN

Technology Process of (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine

There total 5 articles about (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine 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: 68.0%

3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide (13582-93-9) → (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine (102908-68-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 45 ℃; for 36h;

DOI:10.1021/jm970795t

Reference yield: 63.1%

3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile (86267-86-9) → (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine (102908-68-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield:

ethyl 3,4-dihydro-2H-benzo [b][1,4]oxazine-2-carboxylate (22244-22-0) → (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine (102908-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 25percent aq. NH₃ / 12 h / Heating

2: 68 percent / LiAlH₄ / tetrahydrofuran / 36 h / 45 °C

With ammonium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm970795t

upstream raw materials:

3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxamide

ethyl 3,4-dihydro-2H-benzo [b][1,4]oxazine-2-carboxylate

3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile

2-amino-phenol

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