6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

Base Information

• Chemical Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
• CAS No.: 623565-63-9
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2934999090
• European Community (EC) Number: 845-120-1
• DSSTox Substance ID: DTXSID70474375
• Wikidata: Q82304358
• Mol file: 623565-63-9.mol

Synonyms:6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde;623565-63-9;5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carbaldehyde;SCHEMBL479166;DTXSID70474375;HRVCHPXADXEUPW-UHFFFAOYSA-N;YZA56563;AKOS006330505;AB50350;AT12738;A8625;BB 0261878;CS-0241611;FT-0682461;EN300-235016;F2147-0899;Z1198219312;Ethyl2-chloro-2-[2-[4-chloro-2-(trifluoromethyl)-phenyl]hydrazono]acetate

Chemical Property of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

Chemical Property:

• PSA: 44.12000
• LogP: 0.47810
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2C(=CC(=N2)C=O)OC1

Technology Process of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

There total 3 articles about 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde 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: 78.0%

2,3-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-methanol → 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-carbaldehyde (623565-63-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 2h; Heating / reflux;

Reference yield: 78.0%

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol (623565-62-8) → 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-carbaldehyde (623565-63-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 2h; Heating;

DOI:10.1021/jm060021p

Reference yield:

ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3 ]oxazine-2-carboxylate (153597-59-2) → 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-carbaldehyde (623565-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / LiBH₄ / tetrahydrofuran; methanol / 2.5 h / 40 °C

2: 78 percent / MnO₂ / CHCl₃ / 2 h / Heating

With manganese(IV) oxide; lithium borohydride; In tetrahydrofuran; methanol; chloroform;

DOI:10.1021/jm060021p

upstream raw materials:

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol

ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3 ]oxazine-2-carboxylate

Downstream raw materials:

4-nitrobenzyl (5R)-6-[(acetyloxy)(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methyl]-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate