N'-Hydroxy-4-methylbenzenecarboximidamide

Base Information

• Chemical Name: N'-Hydroxy-4-methylbenzenecarboximidamide
• CAS No.: 19227-13-5
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2925290090
• European Community (EC) Number: 623-911-0
• ChEMBL ID: CHEMBL1630583
• Mol file: 19227-13-5.mol

Synonyms:4-Methylbenzamide oxime;4-Methylbenzamidoxime;19227-13-5;N'-Hydroxy-4-methylbenzenecarboximidamide;(Z)-N'-hydroxy-4-methylbenzimidamide;p-Toluamidoxime;CHEMBL1630583;N-hydroxy-4-methylbenzimidamide;Benzenecarboximidamide, N-hydroxy-4-methyl-;N-Hydroxy-4-methyl-benzamidine;923023-83-0;N'-Hydroxy-4-methylbenzimidamide;(Z)-N'-hydroxy-4-methylbenzene-1-carboximidamide;MFCD00019952;para-Toluamidoxime;69113-24-2;n'-hydroxy-4-methylbenzene-1-carboximidamide;p-methylbenzamide oxime;(hydroxyimino)(4-methylphenyl)methylamine;starbld0039566;SCHEMBL102213;NKJXMLIWSJATEE-UHFFFAOYSA-;HMS1539D10;N''-hydroxy-4-methylbenzimidamide;BDBM50332783;STK346709;AKOS000200394;AKOS015890613;AKOS025310049;BS-3487;AS-80652;AM20030255;CS-0038628;(E)-N'-hydroxy-4-methylbenzenecarboximidamide;EN300-13327;W10700;5X-0240;J-012425;BRD-K66291904-001-01-6;Z57626985;F2158-1171;InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)

Chemical Property of N'-Hydroxy-4-methylbenzenecarboximidamide

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 140-145 °C(lit.)
• Refractive Index: 1.539
• Boiling Point: 258.052 °C at 760 mmHg
• PKA: 6.95±0.69(Predicted)
• Flash Point: 109.866 °C
• PSA: 58.61000
• Density: 1.15 g/cm³
• LogP: 1.78980
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

N''-Hydroxy-4-methylbenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=NO)N
• Isomeric SMILES: CC1=CC=C(C=C1)/C(=N/O)/N
• Description: 4-Methylbenzamide oxime is intended to be used as a building block in drug discovery chemistry.
• Uses: N-Hydroxy-4-methyl-benzenecarboximidamide is a reactant used in the preparation of naphthyridine-based polycyclic hetarenes from N-hydroxybenzamidines and alkynes.

Technology Process of N'-Hydroxy-4-methylbenzenecarboximidamide

There total 25 articles about N'-Hydroxy-4-methylbenzenecarboximidamide 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%

para-methylbenzonitrile (104-85-8) → p-toluamidoxime (19227-13-5)

Guidance literature:

With hydroxylamine; In ethanol; water; Reflux;

DOI:10.1002/chem.201603222

Reference yield: 98.0%

para-methylbenzonitrile (104-85-8) → (Z)-N'-hydroxy-4-methylbenzimidamide (19227-13-5)

Guidance literature:

With hydroxylamine; In ethanol; for 8h; Reflux; Inert atmosphere;

DOI:10.1055/s-0031-1289673

Reference yield: 88.0%

para-methylbenzonitrile (104-85-8) → 4-methylbenzamide oxime (923023-83-0,69113-24-2,19227-13-5,1089298-31-6)

Guidance literature:

With hydroxylamine; In ethanol; water; for 24h; Heating;

DOI:10.1021/jo0345953

upstream raw materials:

para-methylbenzonitrile

methanol

acetonitrile

triethylamine

Downstream raw materials:

3-(4-tolyl)-1,2,4-thiadiazole-5-(2H)-thione

5-acetonyl-3-(p-tolyl)-1,2,4-oxadiazole

5-methyl-3-(p-tolyl)-1,2,4-oxadiazole

O-(4,4-Dinitropentanoyl)-4-methylbenzamidoxime

Refernces

• 1、 Khallaf, Abdalla,Liu, Hui,Wang, Ping,Zhu, Hongjun,Zhuo, Shuping. "1,2,4-Oxadiazole ring–containing pyridylpyrazole-4-carboxamides: Synthesis and evaluation as novel insecticides of the anthranilic diamide family". . . Retrieved 2020.
• 2、 Paliakov, Ekaterina,Strekowski, Lucjan. "Boron tribromide mediated debenzylation of benzylamino and benzyloxy groups". . p. 4093 - 4095. Retrieved 2004.
• 3、 Akbarzadeh, Tahmineh,Hariri, Roshanak,Nazari, Maryam,Rezaee, Elham,Tabatabai, Sayyed Abbas. "Novel 1,2,4-oxadiazole derivatives as selective butyrylcholinesterase inhibitors: Design, synthesis, and biological evaluation". . p. 907 - 921. Retrieved 2021/06/09.
• 4、 Wolf, Lucas,Mayer, Jo?o C.P.,Quoos, Natália,Sauer, André C.,Schwab, Ricardo S.,Rodrigues, Oscar E.D.,Dornelles, Luciano. "One-pot synthesis of 1,2,4-oxadiazoles from chalcogen amino acid derivatives under microwave irradiation". supporting information. . Retrieved 2021/06/06.