(Z)-4-chloro-N'-hydroxybenzene-1-carboximidamide

Base Information

• Chemical Name: (Z)-4-chloro-N'-hydroxybenzene-1-carboximidamide
• CAS No.: 5033-28-3
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.598
• Hs Code.: 2925290090
• European Community (EC) Number: 665-011-0
• Mol file: 5033-28-3.mol

Synonyms:4-chloro-N'-hydroxybenzenecarboximidamide;(Z)-4-chloro-N'-hydroxybenzamidine;4-chlorobenzamidoxime;1219625-96-3;(Z)-4-chloro-N'-hydroxybenzene-1-carboximidamide;AKOS003726172

Chemical Property of (Z)-4-chloro-N'-hydroxybenzene-1-carboximidamide

Chemical Property:

• Melting Point: 131 °C
• Boiling Point: 334.619 °C at 760 mmHg
• Flash Point: 156.172 °C
• PSA: 58.61000
• Density: 1.368 g/cm³
• LogP: 2.13480
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0246905
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-N''-hydroxybenzimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NO)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C(=N\O)/N)Cl
• Uses: 4-Chlorobenzamidoxime is used to synthesize O-(3-piperidino-2-hydroxy-1-propyl)-4-chloro-benzamidoxime dihydrochloride.

Technology Process of (Z)-4-chloro-N'-hydroxybenzene-1-carboximidamide

There total 36 articles about (Z)-4-chloro-N'-hydroxybenzene-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: 100.0%

4-Cyanochlorobenzene (623-03-0) → 4-chlorobenzamidoxime (5033-28-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium; In methanol;

Reference yield: 98.0%

4-(4-Chloro-phenyl)-2λ4-[1,2,3,5]oxathiadiazol-2-ylamine (172469-60-2) → 4-chlorobenzamidoxime (5033-28-3)

Guidance literature:

In benzene; at 20 ℃; for 48h;

DOI:10.1007/BF00704008

Reference yield: 95.0%

4-Cyanochlorobenzene (623-03-0) → 4-chloro-N'-hydroxybenzimidamide (5033-28-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 20 ℃; for 15h;

DOI:10.1016/j.jorganchem.2017.04.014

upstream raw materials:

(Z)-O-Benzoyl-4-chlorbenzamidoxim

C₁₄H₁₀Cl₂N₂O₂

C₁₄H₁₀ClN₃O₄

C₁₅H₁₃ClN₂O₃

Downstream raw materials:

p-chlorophenyl-5,5-pentamethylene-Δ²-1,2,4-oxadiazoline

C₁₅H₁₃ClN₂O₂

(E)-2-[(4-Chloro-benzimidoyl)-aminooxy]-but-2-enedioic acid dimethyl ester

(Z)-N'-(2-chloroacetoxy)-4-chlorobenzimidamide

Refernces

• 1、 Chernyshov, Vladimir V.,Yarovaya, Olga I.,Esaulkova, Iana L.,Sinegubova, Ekaterina,Borisevich, Sophia S.,Popadyuk, Irina I.,Zarubaev, Vladimir V.,Salakhutdinov, Nariman F.. "Novel O-acylated amidoximes and substituted 1,2,4-oxadiazoles synthesised from (+)-ketopinic acid possessing potent virus-inhibiting activity against phylogenetically distinct influenza A viruses". . . Retrieved 2021/12/16.
• 2、 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.