N'-hydroxypentanimidamide

Base Information

• Chemical Name: N'-hydroxypentanimidamide
• CAS No.: 67015-06-9
• Molecular Formula: C5H12N2O
• Molecular Weight: 116.163
• DSSTox Substance ID: DTXSID10399750
• Nikkaji Number: J1.456.255I
• Mol file: 67015-06-9.mol

Synonyms:N'-hydroxypentanimidamide;valeramidoxime;67015-06-9;N-hydroxypentanimidamide;Pentanamideoxime;N-Hydroxy pentanamidine;DTXSID10399750;RRNLVICCUZTJOW-UHFFFAOYSA-N

Chemical Property of N'-hydroxypentanimidamide

Chemical Property:

• Melting Point: 27 °C
• Boiling Point: 176.7±23.0 °C(Predicted)
• PKA: 7.48±0.69(Predicted)
• PSA: 56.11000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 1.62330
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.094963011
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

98%, ^*data from raw suppliers

N''-hydroxypentanimidamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(=NO)N

Technology Process of N'-hydroxypentanimidamide

There total 6 articles about N'-hydroxypentanimidamide 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: 98.0%

→ N'-hydroxypentanimidamide (67015-06-9)

Guidance literature:

Reference yield: 42.2%

pentanonitrile (110-59-8) → (E)-N'-hydroxypentanimidamide (67015-06-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In methanol; water; at 50 ℃; for 17h;

DOI:10.1021/jo0345953

Reference yield:

pentanonitrile (110-59-8) → N'-hydroxypentanimidamide (67015-06-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol; Yield given; Heating;

DOI:10.1002/jccs.199600014

upstream raw materials:

pentanonitrile

Downstream raw materials:

(S)-3-butyl-6-(2-phenylethyl)-4H-1,2,4-oxadiazin-5(6H)-one

3-n-propyl-5[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole

C₂₉H₃₅N₅O₄

pentanonitrile

Refernces

• 1、 Su, Dongshan,Duan, Haifeng,Wei, Zhonglin,Cao, Jungang,Liang, Dapeng,Lin, Yingjie. "Condensation of Vilsmeier salts, derived from tetraalkylureas, with amidoximes: a novel approach to access N,N-dialkyl-1,2,4-oxadiazol-5-amines". supporting information. p. 6959 - 6963. Retrieved 2019/04/10.
• 2、 -. "PYRAZOLO [1,5-ALPHA] PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS". Page/Page column 49. . Retrieved 2008/06/13.