4-(1,3-Dioxolan-2-yl)benzamidoxime

Base Information

• Chemical Name: 4-(1,3-Dioxolan-2-yl)benzamidoxime
• CAS No.: 852691-00-0
• Molecular Formula: C10H12 N2 O3
• Molecular Weight: 208.217
• Hs Code.: 2932999099
• European Community (EC) Number: 677-066-8
• Mol file: 852691-00-0.mol

Synonyms:4-(1,3-Dioxolan-2-yl)benzamidoxime;1236148-81-4;852691-00-0;(Z)-4-(1,3-dioxolan-2-yl)-N'-hydroxybenzimidamide;(4-(1,3-dioxolan-2-yl)phenyl)(hydroxyimino)methylamine;4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide;4-(1,3-Dioxolan-2-yl)-N'-hydroxy-benzenecarboximidamide;(Z)-4-(1,3-dioxolan-2-yl)-N'-hydroxybenzene-1-carboximidamide;SCHEMBL1334368;4-(1,3-dioxolan-2-yl)-N'-hydroxybenzene-1-carboximidamide;4-(1,3-DIOXOLAN-2-YL)-N-HYDROXYBENZENECARBOXIMIDAMIDE;HMS1440D02;CCG-44772;AKOS005069570;IDI1_014623;EN300-9462214;A934139;11T-0339;SR-01000634588-1

Chemical Property of 4-(1,3-Dioxolan-2-yl)benzamidoxime

Chemical Property:

• Vapor Pressure: 1.9E-07mmHg at 25°C
• Melting Point: 144-146°
• Refractive Index: 1.62
• Boiling Point: 409.7°C at 760 mmHg
• Flash Point: 201.6°C
• PSA: 74.57000
• Density: 1.4g/cm³
• LogP: 1.52680
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

98%Min ^*data from raw suppliers

4-(1,3-Dioxolan-2-yl)-N'-hydroxy-benzenecarboximidamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)C2=CC=C(C=C2)C(=NO)N
• Isomeric SMILES: C1COC(O1)C2=CC=C(C=C2)/C(=N/O)/N

Technology Process of 4-(1,3-Dioxolan-2-yl)benzamidoxime

There total 7 articles about 4-(1,3-Dioxolan-2-yl)benzamidoxime 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: 91.0%

4-(1,3-dioxolan-2-yl)benzonitrile (66739-89-7) → 4-(1,3-dioxolan-2-yl)-N1-hydroxybenzenecarboximidamide (852691-00-0)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; at 60 ℃; for 15h;

DOI:10.1016/j.ejmech.2013.03.056

Reference yield:

4-(1,3-dioxolan-2-yl)benzonitrile (66739-89-7) → 4-(1,3-dioxolan-2-yl)-N-hydroxybenzenecarboximidamide (852691-00-0)

Guidance literature:

With hydroxylamine; In ethanol; water; at 70 ℃; for 1h;

Reference yield:

4-(1,3-dioxolan-2-yl)benzonitrile (66739-89-7) → (Z)-4-(1,3-dioxolan-2-yl)-N'-hydroxybenzimidamide (1236148-81-4,852691-00-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; for 4h; Reflux;

upstream raw materials:

4-(1,3-dioxolan-2-yl)benzonitrile

4-cyanobenzaldehyde

4-bromobenzenecarbonitrile

Downstream raw materials:

bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,8-octane

α,α'-bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,4-xylene

α,α'-bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,3-xylene

bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,6-hexane

Refernces

• 1、 -. "BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE". Paragraph 0038; 0047; 0211-0212. . Retrieved 2020/03/23.
• 2、 Liu, Tianqi,Jin, Jing,Chen, Yonghui,Xi, Qiumu,Hu, Jinping,Jia, Wenqiang,Chen, Xiaoguang,Li, Yan,Wang, Xiaojian,Yin, Dali. "Identification and Structure–Activity Relationship (SAR) of potent and selective oxadiazole-based agonists of sphingosine-1-phosphate receptor (S1P1)". . p. 41 - 57. Retrieved 2018/10/02.