3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol

Base Information

• Chemical Name: 3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol
• CAS No.: 82756-74-9
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40383723
• Nikkaji Number: J2.608.009F
• Mol file: 82756-74-9.mol

Synonyms:82756-74-9;3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol;(3,4-Dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanol;MFCD06200861;(3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;SCHEMBL3969660;DTXSID40383723;VT1201;AKOS006283233;AS-0162;SDCCGMLS-0066083.P001;FT-0646582;EN300-148392;J-501096;2-(Hydroxymethyl)-3,4-dihydro-2H-1,4-benzooxazine

Chemical Property of 3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol

Chemical Property:

• Vapor Pressure: 6.96E-05mmHg at 25°C
• Boiling Point: 329.8oC at 760 mmHg
• Flash Point: 153.3oC
• PSA: 41.49000
• Density: 1.164g/cm3
• LogP: 0.98980
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dihydro-2H-1,4-benzoxazin-2-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol

There total 8 articles about 3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol 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: 100.0%

4-Acetoxy-3,4-dihydro-2H-1,4-benzoxazin-2-carbonsaeuremethylester (3640-49-1) → (3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-methanol (82756-74-9)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at -45 ℃; for 1.16667h;

DOI:10.1002/ardp.19823150611

Reference yield: 98.0%

ethyl 3,4-dihydro-2H-benzo [b][1,4]oxazine-2-carboxylate (22244-22-0) → (3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-methanol (82756-74-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h;

DOI:10.1002/jhet.5570330133

Reference yield: 70.0%

2-amino-phenol (95-55-6) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → (3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-methanol (82756-74-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.333333h; Solvent; Time;

DOI:10.1039/c5ra14478g

upstream raw materials:

3,4-Dihydro-2H-1,4-benzoxazin-2-carbnsaeuremethylester

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

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

2-amino-phenol

Downstream raw materials:

4-benzoyl-4H-1,4-benzoxazine-2-carbaldehyde

4-benzyl-4H-1,4-benzoxazine-2-carbaldehyde

4-benzoyl-4H-1,4-benzoxazine-2-carboxylic acid, ethyl ester

C-(4-Benzyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-methylamine