Oxazine 1

Base Information

• Chemical Name: Oxazine 1
• CAS No.: 47367-75-9
• Molecular Formula: C₂₀H₂₆N₃O
• Molecular Weight: 324.446
• DSSTox Substance ID: DTXSID40197120
• Nikkaji Number: J60.856D,J238.120F
• Wikidata: Q27123294
• Metabolomics Workbench ID: 58153
• ChEMBL ID: CHEMBL1185112
• Mol file: 47367-75-9.mol

Synonyms:oxazine 1;oxazine 1 chloride;oxazine 1 mesylate;oxazine 1 monoperchlorate;oxazine 1 nitrate;oxazine 1 perchlorate;oxazine 1 trichlorozincate(1-);oxazine 1, (T-4)-tetrachlorozincate(2-) (2:1);oxazine 1heptafluorobutanoic acid, (1:1);perchlorate of oxazine 1

Chemical Property of Oxazine 1

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 32.51000
• Density: g/cm³
• LogP: 4.95450
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 324.207587461
• Heavy Atom Count: 24
• Complexity: 533

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2

Technology Process of Oxazine 1

There total 12 articles about Oxazine 1 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:

3,7-bis(diethylamino)-10H-phenoxazine-10-carbonyl chloride (83531-24-2) → N,N,N',N'-tetraethyloxonine (47367-75-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dimethoxy-ethane

2: acetonitrile / γ-Irradiation

In 1,2-dimethoxyethane; acetonitrile;

DOI:10.1080/15421400590947126

Reference yield:

leucooxazine 725 (53342-54-4) → N,N,N',N'-tetraethyloxonine (47367-75-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium carbonate / dichloromethane / 3 h / 40 °C / Inert atmosphere

2: sodium carbonate / dichloromethane / 40 °C / Inert atmosphere

3: hypochloric acid / aq. phosphate buffer / pH 7.4

With hypochloric acid; sodium carbonate; In aq. phosphate buffer; dichloromethane;

DOI:10.1016/j.dyepig.2020.108404

Reference yield:

basic blue 3 (33203-82-6,55840-82-9) → N,N,N',N'-tetraethyloxonine (47367-75-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Na₂S₂O₄ / toluene; H₂O

1.2: toluene; H₂O

2.1: 1,2-dimethoxy-ethane

3.1: acetonitrile / γ-Irradiation

With sodium dithionite; In 1,2-dimethoxyethane; water; toluene; acetonitrile;

DOI:10.1080/15421400590947126

upstream raw materials:

3,7-bis-diethylamino-phenoxazine-10-carbothioic acid S-tert-butyl ester

3,7-bis(N,N-diethylamino)-10-(phenylthio)carbonylphenoxazine

3,7-bis-diethylamino-phenoxazine-10-carbothioic acid S-p-tolyl ester

3,7-bis-diethylamino-phenoxazine-10-carbothioic acid S-naphthalen-1-yl ester