Thiophene-2-carbaldehyde oxime

Base Information

• Chemical Name: Thiophene-2-carbaldehyde oxime
• CAS No.: 29683-84-9
• Molecular Formula: C5H5NOS
• Molecular Weight: 127.167
• Hs Code.: 2934999090
• European Community (EC) Number: 249-778-5
• NSC Number: 110538
• UNII: 4W6UB726D3
• Wikidata: Q27461807
• Metabolomics Workbench ID: 129158
• ChEMBL ID: CHEMBL2420347
• Mol file: 29683-84-9.mol

Synonyms:thiophene-2-aldoxime

Chemical Property of Thiophene-2-carbaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Melting Point: 132-136°C
• Refractive Index: 1.606
• Boiling Point: 212.8 °C at 760 mmHg
• Flash Point: 82.5 °C
• PSA: 60.83000
• Density: 1.26g/cm³
• LogP: 1.55620
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 94.4

Purity/Quality:

99% ^*data from raw suppliers

Thiophene-2-carbaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Thiophene-2-carbaldehyde oxime

There total 5 articles about Thiophene-2-carbaldehyde oxime 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-carbaldehyde (98-03-3) → thiophene-2-carbaldehyde oxime (29683-84-9)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1039/b305268k

Reference yield: 75.0%

2-Aminomethylthiophene (27757-85-3) → thiophene-2-carbaldehyde oxime (29683-84-9)

Guidance literature:

With Acetaldehyde oxime; oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; In water; at 100 ℃; for 40h; Green chemistry;

DOI:10.1055/s-0033-1338646

Reference yield: 71.0%

2-Methylthiophene (554-14-3) → thiophene-2-carbaldehyde oxime (29683-84-9)

Guidance literature:

With tert.-butylnitrite; N-hydroxyphthalimide; copper diacetate; In acetonitrile; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c5ob00923e DOI:10.1039/c5ob00923e

upstream raw materials:

thiophene-2-carbaldehyde

2-Aminomethylthiophene

2-Methylthiophene

Downstream raw materials:

thiophene-2-carbonitrile

dimethyl sulfoxide

thiophene-2-carbaldehyde

2-thiophenylcarboxamide

Refernces

• 1、 ?vajger, Urban,Bratkovi?, Toma?,Dol?ak, Ana,Gobec, Stanislav,Mlinari?, Larisa,Ogorevc, Eva,Sova, Matej. "Novel selective ido1 inhibitors with isoxazolo[5,4-d]pyrimidin-4(5h)-one scaffold". . . Retrieved 2021/04/02.
• 2、 Calixto, Stephane Lima,Carvalho, Guilherme da Silva Louren?o,Coimbra, Elaine Soares,Granato, Juliana da Trindade,Louren?o, Maria Cristina da Silva,Wardell, James,da Costa, Cristiane Fran?a,de Souza, Marcus Vinicius Nora. "Synthesis and SAR study of simple aryl oximes and nitrofuranyl derivatives with potent activity against Mycobacterium tuberculosis". . p. 12 - 20. Retrieved 2020/02/06.