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

Base Information

• Chemical Name: (6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol
• CAS No.: 623565-62-8
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• European Community (EC) Number: 963-296-9
• DSSTox Substance ID: DTXSID90474337
• Wikidata: Q82304298
• Mol file: 623565-62-8.mol

Synonyms:623565-62-8;(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethanol;MFCD09263989;5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-2-ylmethanol;SCHEMBL15010026;DTXSID90474337;AKOS006330324;AB50349;AT12739;SY287973;CS-0238096;EN300-189842;{5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-2-yl}methanol;F2147-0898;Z1198219311;2-(Hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

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

Chemical Property:

• Boiling Point: 350.0±27.0 °C(Predicted)
• PKA: 13.36±0.10(Predicted)
• PSA: 47.28000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 0.15790
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

(6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZIN-2-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2C(=CC(=N2)CO)OC1

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

There total 1 articles about (6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol 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%

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-yl)methanol (623565-62-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

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:

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol (623565-62-8) → 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 (623565-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 78 percent / MnO₂ / CHCl₃ / 2 h / Heating

2.1: MgBr₂; Et₃N; Et₂O / tetrahydrofuran; acetonitrile / 2 h / -20 °C

2.2: 65 percent / tetrahydrofuran; acetonitrile / 15 h / 0 °C

With manganese(IV) oxide; diethyl ether; triethylamine; magnesium bromide; In tetrahydrofuran; chloroform; acetonitrile;

DOI:10.1021/jm060021p

upstream raw materials:

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

Downstream raw materials:

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

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