N'-hydroxyadamantane-1-carboximidamide

Base Information

• Chemical Name: N'-hydroxyadamantane-1-carboximidamide
• CAS No.: 53658-91-6
• Molecular Formula: C11H18 N2 O
• Molecular Weight: 194.277
• Hs Code.: 2925290090
• European Community (EC) Number: 817-114-9
• DSSTox Substance ID: DTXSID90968423
• Mol file: 53658-91-6.mol

Synonyms:N'-hydroxyadamantane-1-carboximidamide;53658-91-6;N-Hydroxy-adamantane-1-carboxamidine;1-Adamantanecarboxamidoxime;N-HYDROXYADAMANTANE-1-CARBOXIMIDAMIDE;SCHEMBL1238988;SCHEMBL21490791;DTXSID90968423;HMS1744D08;N'-hydroxyadamantane-1-carboxamidine;MFCD05663164;AKOS001187244;AKOS006238106;(Z)-N'-hydroxyadamant-1-carboximidamide;EN300-15210;Z119927072;Tricyclo[3.3.1.1~3,7~]decane-1-carboximidamide, N'-hydroxy-

Chemical Property of N'-hydroxyadamantane-1-carboximidamide

Chemical Property:

• Boiling Point: 354.3°Cat760mmHg
• Flash Point: 168.1°C
• PSA: 56.11000
• Density: 1.51g/cm³
• LogP: 2.64950
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.141913202
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

N''-hydroxyadamantane-1-carboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=NO)N
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)/C(=N/O)/N

Technology Process of N'-hydroxyadamantane-1-carboximidamide

There total 4 articles about N'-hydroxyadamantane-1-carboximidamide 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: 86.0%

1-adamantanecarbonitrile (23074-42-2) → 1-adamantanecarboxamidoxime (53658-91-6)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; water;

DOI:10.1016/S0040-4039(98)80006-3

Reference yield: 72.0%

1-adamantanecarbonitrile (23074-42-2) → 1-Adamantyl-carboxamidin (53658-91-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; for 4h; Reflux;

Reference yield:

→ 1-Adamantyl-carboxamidin (53658-91-6)

Guidance literature:

Aus 1-Adamantyl-carbimino-ethylether oder 1-Adamantyl-carbimino-thiomethylether m. NH2-OH * HCl;

upstream raw materials:

1-adamantanecarbonitrile

Downstream raw materials:

3-(adamantan-1-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole

3-(adamantan-1-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-((3r,5r,7r)-adamantan-1-yl)-5-phenyl-1,2,4-oxadiazole

C₂₅H₃₀ClN₃O₂

Refernces

• 1、 Xia, Guangxin,You, Xiaodi,Liu, Lin,Liu, Haiyan,Wang, Jianfa,Shi, Yufang,Li, Ping,Xiong, Bing,Liu, Xuejun,Shen, Jingkang. "Design, synthesis and SAR of piperidyl-oxadiazoles as 11β- hydroxysteroid dehydrogenase 1 inhibitors". . p. 1 - 10. Retrieved 2013/05/09.