N-Hydroxyacetamidine

Base Information

• Chemical Name: N-Hydroxyacetamidine
• CAS No.: 22059-22-9
• Molecular Formula: C₂H₆N₂O
• Molecular Weight: 74.0824
• Hs Code.: 29280000
• European Community (EC) Number: 606-918-3,846-296-2
• DSSTox Substance ID: DTXSID70176544
• Mol file: 22059-22-9.mol

Synonyms:acetohydroxamic acid;Lithostat;N-hydroxyacetamide;N-hydroxyacetamidine;Uronefrex

Chemical Property of N-Hydroxyacetamidine

Chemical Property:

• Vapor Pressure: 0.0936mmHg at 25°C
• Melting Point: 134 °C
• Refractive Index: 1.474
• Boiling Point: 197.9 °C at 760 mmHg
• PKA: 7.48±0.69(Predicted)
• Flash Point: 73.5 °C
• PSA: 58.61000
• Density: 1.19 g/cm³
• LogP: 0.45300
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 74.048012819
• Heavy Atom Count: 5
• Complexity: 49.6

Purity/Quality:

99%, ^*data from raw suppliers

N-Hydroxyacetamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)N
• Isomeric SMILES: C/C(=N/O)/N

Technology Process of N-Hydroxyacetamidine

There total 1 articles about N-Hydroxyacetamidine 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: 99.0%

acetonitrile (75-05-8,26809-02-9) → 1-(hydroxyimino)ethylamine (22059-22-9,117771-39-8,118453-50-2,118464-69-0,118493-85-9,1141922-26-0,1429624-21-4)

Guidance literature:

With hydroxylamine; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4039(00)02288-7

Reference yield: 100.0%

N-hydroxyacetamidine (22059-22-9,118453-50-2,118464-69-0,118493-85-9,117771-39-8,1141922-26-0) + Ethyl 9-[(4-chlorophenyl)sulfonyl]spiro[9-azabicyclo[3.3.1]nonane-3,2'-[1,3]dioxolane]-7-carboxylate (1215183-51-9) → 9-[(4-chlorophenyl)sulfonyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[9-azabicyclo[3.3.1]nonane-3,2'-[1,3]dioxolane] (1215183-52-0)

Guidance literature:

N-hydroxyacetamidine; With sodium hydride; In tetrahydrofuran; mineral oil; at 50 ℃; for 0.25h;

Ethyl 9-[(4-chlorophenyl)sulfonyl]spiro[9-azabicyclo[3.3.1]nonane-3,2'-[1,3]dioxolane]-7-carboxylate; In tetrahydrofuran; mineral oil; at 20 ℃; for 1h;

Reference yield: 96.0%

N-hydroxyacetamidine (22059-22-9,118453-50-2,118464-69-0,118493-85-9,117771-39-8,1141922-26-0) + 2-((1r,4r)-4-(4-(4-amino-2-methoxy-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)phenyl)cyclohexyl)acetic acid (1236361-25-3) → 2-((1r,4r)-4-(4-(4-amino-2-methoxy-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)phenyl)cyclohexyl)-N-((Z)-1-(hydroxyimino)ethyl)acetamide (1236796-02-3)

Guidance literature:

2-((1r,4r)-4-(4-(4-amino-2-methoxy-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)phenyl)cyclohexyl)acetic acid; With thionyl chloride; N,N-dimethyl-formamide; at 20 ℃; for 3h;

N-hydroxyacetamidine; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 20 ℃; for 18h;

With sodium hydrogencarbonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; water; at 20 ℃; for 0.25h;

upstream raw materials:

acetonitrile

Downstream raw materials:

(+)-(3R,4S)-[[4-(4-chlorophenyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]methyl]piperidine

6-(1-methanesulfonyl-1-methyl-ethyl)-8-[3-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-quinoline

N-({3-[3-(3-methoxy-4-nitrophenyI)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]propanoyl}oxy)ethanimidamide

cis-(1S)-N-methyl-7-(5-(3-methyl-1,2,4-oxadiazolyl))-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine

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