N'-hydroxycyclopropanecarboximidamide

Base Information

• Chemical Name: N'-hydroxycyclopropanecarboximidamide
• CAS No.: 51285-13-3
• Molecular Formula: C4H8 N2 O
• Molecular Weight: 100.12
• Hs Code.: 2925290090
• European Community (EC) Number: 695-783-4
• DSSTox Substance ID: DTXSID80430548
• Mol file: 51285-13-3.mol

Synonyms:N'-hydroxycyclopropanecarboximidamide;51285-13-3;(Z)-N'-hydroxycyclopropanecarboxamidine;N-Hydroxycyclopropanecarboximidamide;(Z)-N'-hydroxycyclopropanecarboximidamide;N'-Hydroxycyclopropanecarboxamidine;1240301-72-7;(Z)-N'-hydroxycyclopropanecarboximidamide, Z;MFCD07772876;(Z)-N'-hydroxycycloprop-1-carboximidamide;Cyclopropanecarboxamideoxime;Cyclopropanecarboxamid oxime;DTXSID80430548;BBL005473;N'-Hydroxycyclopropanecarboximideamide;STK351080;AKOS000151930;AKOS005145568;AS-5706;CCG-358146;CS-W005177;BB 0257706;EN300-45121;A828515;J-523589;F2145-0846

Chemical Property of N'-hydroxycyclopropanecarboximidamide

Chemical Property:

• Boiling Point: 176.0±23.0 °C(Predicted)
• PKA: 15.04±0.20(Predicted)
• Flash Point: 107.409oC
• PSA: 56.11000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 0.84310
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.063662883
• Heavy Atom Count: 7
• Complexity: 95.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

N''-Hydroxycyclopropanecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=NO)N
• Isomeric SMILES: C1CC1/C(=N/O)/N
• Uses: N''-Hydroxycyclopropanecarboximidamide

Technology Process of N'-hydroxycyclopropanecarboximidamide

There total 7 articles about N'-hydroxycyclopropanecarboximidamide 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%

cyclopropropanecarbonitrile (5500-21-0) → cyclopropanecarboxamide oxime (51285-13-3)

Guidance literature:

With hydroxylamine; In ethanol; water; at 80 ℃;

Reference yield: 80.0%

cyclopropropanecarbonitrile (5500-21-0) → (Z)-N’-hydroxycyclopropanecarboximidamide (51285-13-3)

Guidance literature:

With hydroxylamine; potassium carbonate; In ethanol; water; at 20 ℃; for 18h;

Reference yield: 44.0%

→ (Z)-N’-hydroxycyclopropanecarboximidamide (51285-13-3)

Guidance literature:

upstream raw materials:

cyclopropropanecarbonitrile

2-cyclopropylacetonitrile

Downstream raw materials:

(3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo<2.2.1>heptane

(3R,4R)-3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo [2.2.1]heptane

5-(2-aminophenyl)-3-cyclopropyl-1,2,4-oxadiazole

5-benzyl-2-(3-cyclopropyl-[1,2,4]oxadiazol-5-ylmethylsulfanyl)-pyrimidin-4-ylamine

Refernces

• 1、 -. "BAX INHIBITORS AND USES THEREOF". Paragraph 00225; 00226. . Retrieved 2021/01/23.
• 2、 Zhang, Han,He, Xiaomeng,Wang, Xintong,Yu, Bo,Zhao, Siqi,Jiao, Peili,Jin, Hongwei,Liu, Zhenming,Wang, KeWei,Zhang, Liangren,Zhang, Lihe. "Design, synthesis and biological activities of piperidine-spirooxadiazole derivatives as α7 nicotinic receptor antagonists". . . Retrieved 2020/09/03.