3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine)

Base Information

• Chemical Name: 3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine)
• CAS No.: 63489-63-4
• Molecular Formula: C9H18 N2 O2
• Molecular Weight: 186.254
• European Community (EC) Number: 264-268-2
• DSSTox Substance ID: DTXSID90212892
• Nikkaji Number: J349.241I
• Wikidata: Q83088116
• Mol file: 63489-63-4.mol

Synonyms:63489-63-4;3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine);EINECS 264-268-2;3,3'-methylenebis[tetrahydro-2H-1,3-oxazine];3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine;2H-1,3-Oxazine, 3,3'-methylenebis(tetrahydro-;SCHEMBL6330683;DTXSID90212892;bis-(tetrahydro-1,3-oxazin-3-yl) methane

Chemical Property of 3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine)

Chemical Property:

• Boiling Point: 271.2oC at 760 mmHg
• Flash Point: 80.2oC
• PSA: 24.94000
• Density: 1.09g/cm3
• LogP: 0.17930
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(COC1)CN2CCCOC2

Technology Process of 3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine)

There total 2 articles about 3,3'-Methylenebis(tetrahydro-2H-1,3-oxazine) 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + propan-1-ol-3-amine (156-87-6) → bis(1,3-oxazinan-3-yl)methane (63489-63-4)

Guidance literature:

In benzene; for 5h; Dean-Stark; Reflux;

DOI:10.1134/S1070363219090056

Reference yield:

→ bis(1,3-oxazinan-3-yl)methane (63489-63-4)

Guidance literature:

Tetrahydro-1,3-oxazin,CH2O;

Reference yield: 50.0%

bis(1,3-oxazinan-3-yl)methane (63489-63-4) → N-nitroso-1,3-tetrahydrooxazine (35627-29-3)

Guidance literature:

With nitrosylchloride; In diethyl ether; 1.) -40 deg C, 1 h, 2.) 20 deg C, 1 h;

DOI:10.1007/BF00955866

upstream raw materials:

formaldehyd

propan-1-ol-3-amine

Downstream raw materials:

N-nitroso-1,3-tetrahydrooxazine

tetrahydro-1,3-oxazine