N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide

Base Information

• Chemical Name: N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide
• CAS No.: 131041-99-1
• Molecular Formula: C7H14 N2 O3
• Molecular Weight: 174.2
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90706569
• Mol file: 131041-99-1.mol

Synonyms:131041-99-1;N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide;N'-hydroxy-2-(oxan-2-yloxy)ethanimidamide;DTXSID90706569;DRKFVKJRLAXTKN-UHFFFAOYSA-N;AB44319;N'-hydroxy-2-(tetrahydro-2H-pyran-2-yloxy)acetimidamide

Chemical Property of N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide

Chemical Property:

• PSA: 71.28000
• LogP: 0.87530
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 174.10044231
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

N-HYDROXY-2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ACETIMIDAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCOC(C1)OCC(=NO)N

Technology Process of N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide

There total 2 articles about N'-Hydroxy[(oxan-2-yl)oxy]ethanimidamide 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: 94.0%

2-((tetrahydro-2H-pyran-2-yl)oxy)acetonitrile (17521-49-2) → N'-hydroxy-2-((tetrahydro-2H-pyran-2-yl)oxy)acetimidamide (131041-99-1)

Guidance literature:

With methanol; hydroxylamine hydrochloride; sodium; for 72h;

DOI:10.1021/jm00107a032

Reference yield:

3,4-dihydro-2H-pyran (110-87-2) → N'-hydroxy-2-((tetrahydro-2H-pyran-2-yl)oxy)acetimidamide (131041-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / toluenesulfonic acid monohydrate / toluene / 18 h / Ambient temperature

2: 94 percent / hydroxylamine hydrochloride, Na/MeOH / 72 h

With methanol; hydroxylamine hydrochloride; sodium; toluene-4-sulfonic acid; In toluene;

DOI:10.1021/jm00107a032

Reference yield: 16.0%

methyl 4-(2-methylcyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxylate (1263419-77-7) + N'-hydroxy-2-((tetrahydro-2H-pyran-2-yl)oxy)acetimidamide (131041-99-1) → N-(2-methylcyclohexyl)-3-(3-((tetrahydro-2H-pyran-2-yloxy)methyl)-1,2,4-oxadiazol-5-yl)pyrrolo[1,2-b]pyridazin-4-amine (1263419-78-8)

Guidance literature:

N'-hydroxy-2-((tetrahydro-2H-pyran-2-yl)oxy)acetimidamide; With sodium hydride; In tetrahydrofuran; mineral oil; at 50 ℃; for 1h; Molecular sieve;

methyl 4-(2-methylcyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxylate; In tetrahydrofuran; mineral oil; for 19h; Reflux;

upstream raw materials:

2-((tetrahydro-2H-pyran-2-yl)oxy)acetonitrile

3,4-dihydro-2H-pyran

Downstream raw materials:

N-(2-methylcyclohexyl)-3-(3-((tetrahydro-2H-pyran-2-yloxy)methyl)-1,2,4-oxadiazol-5-yl)pyrrolo[1,2-b]pyridazin-4-amine

Refernces

• 1、 Showell, Graham A.,Gibbons, Tracey L.,Kneen, Clare O.,MacLeod, Angus M.,Merchant, Kevin,et al.. "Tetrahydropyridyloxadiazoles: Semirigid Muscarinic Ligands". . p. 1086 - 1094. Retrieved 2007/10/02.