N'-HYDROXY-2-THIOPHENECARBOXIMIDAMIDE

Base Information

• Chemical Name: N'-HYDROXY-2-THIOPHENECARBOXIMIDAMIDE
• CAS No.: 53370-51-7
• Molecular Formula: C5H6N2OS
• Molecular Weight: 142.181
• Hs Code.: 29349990
• European Community (EC) Number: 692-391-5
• Mol file: 53370-51-7.mol

Synonyms:2-Thiophenecarboxamidoxime(6CI,7CI);2-(N-Hydroxycarbamimidoyl)thiophene;2-Thienylamidoxime;2-Thiopheneamidoxime;2-Thiophenecarboxamide oxime;N-Hydroxythiophene-2-carboximidamide;N'-Hydroxythiophen-2-carboximidamide;N'-Hydroxythiophene-2-carboximidamide;

Chemical Property of N'-HYDROXY-2-THIOPHENECARBOXIMIDAMIDE

Chemical Property:

• Melting Point: 94-97 °C
• Boiling Point: 330.2 °C at 760 mmHg
• Flash Point: 153.5 °C
• PSA: 86.85000
• Density: 1.45 g/cm³
• LogP: 1.54290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.02008399
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

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

N''-Hydroxythiophene-2-carboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41-36/37/38
• Safety Statements: 26-39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=NO)N
• Isomeric SMILES: C1=CSC(=C1)/C(=N\O)/N

Technology Process of N'-HYDROXY-2-THIOPHENECARBOXIMIDAMIDE

There total 4 articles about N'-HYDROXY-2-THIOPHENECARBOXIMIDAMIDE 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: 100.0%

thiophene-2-carbonitrile (1003-31-2) → N'-hydroxythiophene-2-carboximidamide (53370-51-7)

Guidance literature:

With hydroxylamine monohydrate; In ethanol; at 90 ℃; for 1.5h; Sealed tube;

DOI:10.1016/j.ejmech.2018.10.015

Reference yield: 92.0%

thiophene-2-carbonitrile (1003-31-2) → (Z)-N'-hydroxythiophene-2-carboxamidine (53370-51-7)

Guidance literature:

With hydroxylamine; In ethanol; water; for 2h; Reflux;

DOI:10.5012/bkcs.2014.35.2.513

Reference yield: 73.0%

thiophene-2-carbonitrile (1003-31-2) → N-hydroxythiophene-2-carboximidamide (53370-51-7,108443-93-2,1164246-20-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; for 6h; Reflux;

DOI:10.1039/c5ra15191k

upstream raw materials:

thiophene-2-carbonitrile

Downstream raw materials:

5-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-isophthalic acid diethyl ester

methyl 5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxylate

Refernces

• 1、 Wang, Xuetong,Wang, Yin,Liu, Xiaoling,He, Tingshu,Li, Lingli,Wu, Huili,Zhou, Shangjun,Li, Dan,Liao, Siwei,Xu, Ping,Huang, Xing,Yuan, Jianyong. "Imidazole hydrochloride promoted synthesis of 3,5-disubstituted-1,2,4-oxadiazoles". supporting information. . Retrieved 2021/10/14.
• 2、 Yang, Yajun,Wang, Ke,Wu, Bo,Yang, Ying,Lai, Fangfang,Chen, Xiaoguang,Xiao, Zhiyan. "Design, synthesis and biological evaluation of triaryl compounds as novel 20S proteasome inhibitors". . . Retrieved 2020/09/02.