N'-hydroxy-4-phenylbenzene-1-carboximidamide

Base Information

• Chemical Name: N'-hydroxy-4-phenylbenzene-1-carboximidamide
• CAS No.: 40019-44-1
• Molecular Formula: C14H13N3O2
• Molecular Weight: 212.251
• Hs Code.: 2925290090
• European Community (EC) Number: 826-401-8
• Nikkaji Number: J1.977.099K
• Mol file: 40019-44-1.mol

Synonyms:Biphenyl-4-amidoxime;40019-44-1;N'-hydroxy-4-phenylbenzene-1-carboximidamide;4-Biphenylcarboxamidoxime;WVKAHHBQPICMQP-UHFFFAOYSA-N;N'-hydroxybiphenyl-4-carboximidamide

Chemical Property of N'-hydroxy-4-phenylbenzene-1-carboximidamide

Chemical Property:

• PSA: 56.11000
• LogP: 3.14840
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

Biphenyl-4-amidoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=NO)N
• Description: Biphenyl-4-amidoxime is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of N'-hydroxy-4-phenylbenzene-1-carboximidamide

There total 6 articles about N'-hydroxy-4-phenylbenzene-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: 60.0%

4-cyano-1,1'-biphenyl (2920-38-9) → (Z)-N'-hydroxy-[1,1'-biphenyl]-4-carboximidamide (40019-44-1,1648828-03-8)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; for 16h; Heating;

DOI:10.1016/j.ejmech.2007.04.007

Reference yield:

→ N-hydroxybenzamidine (613-92-3) + N-Hydroxy[1,1'-biphenyl]-4-carboximidamide (40019-44-1)

Guidance literature:

Reference yield:

4-cyano-1,1'-biphenyl (2920-38-9) → N′-hydroxy-[1,1′-biphenyl]-4-carboximidamide (40019-44-1,1648828-03-8)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In methanol; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/acsmedchemlett.8b00534

upstream raw materials:

4-cyano-1,1'-biphenyl

biphenyl-4-carbaldehyde oxime

4-Phenylbenzaldehyde

Downstream raw materials:

3-(biphenyl-4-yl)-5-(1H-indol-3-yl)-1,2,4-oxadiazole

3-biphenyl-4-yl-5-chloromethyl-[1,2,4]oxadiazole

3-(biphenyl-4-yl)-1,2,4-oxadiazole-5-carboxylic acid ethyl ester

Refernces

• 1、 Wu, Weiping,Fan, Shuaixin,Li, Tielei,Fang, Lili,Chu, Benfa,Zhu, Jin. "Cobalt-Catalyzed, Directed Intermolecular C-H Bond Functionalization for Multiheteroatom Heterocycle Synthesis: The Case of Benzotriazine". supporting information. p. 5652 - 5657. Retrieved 2021/08/01.
• 2、 Chen, Liu Zeng,Wu, Jing,Li, Kang,Wu, Qian Qian,Chen, Rui,Liu, Xin Hua,Ruan, Ban Feng. "Novel phthalide derivatives: Synthesis and anti-inflammatory activity in vitro and in vivo". . . Retrieved 2020/08/21.