2-Oxa-6-azaspiro[3.4]octane

Base Information

• Chemical Name: 2-Oxa-6-azaspiro[3.4]octane
• CAS No.: 220290-68-6
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 29339900
• European Community (EC) Number: 815-903-2
• DSSTox Substance ID: DTXSID60701248
• Nikkaji Number: J2.972.592F
• Wikidata: Q72498117
• Mol file: 220290-68-6.mol

Synonyms:2-oxa-6-azaspiro[3.4]octane;220290-68-6;2-Oxa-6-aza-spiro[3.4]octane;2-oxa-7-azaspiro[3.4]octane;2-oxa-6-azaspiro[3,4]octane;SCHEMBL671057;DTXSID60701248;Spiro[pyrrolidine-3,3'-oxetane];ZHAIMJRKJKQNQI-UHFFFAOYSA-N;2-oxa-6-aza-spiro [3.4]octane;MFCD14586455;AKOS005266507;CS-W013649;PB18095;AS-42269;2-Oxa-6-azaspiro[3.4]octane, AldrichCPR;AM20020022;FT-0684545;EN300-305645;A815851;W-201907;F2147-8615;Z1201627869

Chemical Property of 2-Oxa-6-azaspiro[3.4]octane

Chemical Property:

• Boiling Point: 187.1 °C at 760 mmHg
• PKA: 10.55±0.20(Predicted)
• Flash Point: 62.9 °C
• PSA: 21.26000
• Density: 1.08 g/cm³
• LogP: 0.32510
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: Soluble in water.
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

2-Oxa-6-azaspiro[3.4]octane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC12COC2
• Uses: 2-Oxa-6-azaspiro[3.4]octane is involved in the preparation of azaspirocycle or azetidine substituted 4-anilinoquinazoline derivatives, which exhibits epidermal growth factor receptor (EGFR) inhibitory activities.

Technology Process of 2-Oxa-6-azaspiro[3.4]octane

There total 1 articles about 2-Oxa-6-azaspiro[3.4]octane 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:

2-(3-(nitromethyl)oxetan-3-yl)acetaldehyde → 2-oxa-6-azaspiro[3.4]octane hemioxalate (220290-68-6)

Guidance literature:

With palladium hydroxide (20% on carbon); hydrogen; In methanol;

DOI:10.1002/anie.200800450

Reference yield: 76.0%

2-oxa-6-azaspiro[3.4]octane hemioxalate (220290-68-6) + 1-chloro-2-fluoro-4-nitrobenzene (350-31-2) → 6-(2-fluoro-4-nitrophenyl)-2-oxa-6-azaspiro[3.4]octane

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 24.25h; Inert atmosphere;

Reference yield: 68.3%

2-oxa-6-azaspiro[3.4]octane hemioxalate (220290-68-6) + 4-fluorobenzaldehyde (459-57-4) → 4-(2-oxa-6-azaspiro[3.4]octan-6-yl)benzaldehyde

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 16h;

Downstream raw materials:

6-(4-fluoro-phenyl)-3-{3-methoxy-4-[2-(2-oxa-6-aza-spiro[3.4]oct-6-yl)-ethoxy]-phenyl}-3H-thieno[3,2-d]pyrimidin-4-one

4-(3'-chloro-4'-fluorophenylamino)-6-[3-(2-oxa-6-azaspiro[3.4]octane-6-yl)propoxy]-7-methoxyquinazoline

N-(2-ethoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-8-(2-oxa-6-azaspiro[3.4]octan-6-yl)pyrido[3,4-d]pyrimidin-2-amine

2-[(S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-1-(2-oxa-6-azaspiro[3.4]oct-6-yl)ethan-1-one

Refernces