5-Bromo-thiophene-2-carbaldehyde oxime

Base Information

• Chemical Name: 5-Bromo-thiophene-2-carbaldehyde oxime
• CAS No.: 2160-63-6
• Molecular Formula: C5H4 Br N O S
• Molecular Weight: 206.063
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID801281605
• Wikidata: Q106902802
• Mol file: 2160-63-6.mol

Synonyms:Maybridge1_004965;DTXSID801281605;AKOS017263153;5-Bromo-thiophene-2-carbaldehyde oxime;FT-0634080;E79200

Chemical Property of 5-Bromo-thiophene-2-carbaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00302mmHg at 25°C
• Melting Point: 132-134℃
• Boiling Point: 272.2°Cat760mmHg
• PKA: 10.33±0.10(Predicted)
• Flash Point: 118.4°C
• PSA: 60.83000
• Density: 1.81g/cm³
• LogP: 2.31870
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.91970
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

5-Bromothiophene-2-carboxaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)Br)C=NO

Technology Process of 5-Bromo-thiophene-2-carbaldehyde oxime

There total 1 articles about 5-Bromo-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: 98.0%

5-bromo-2-thiophencarboxaldehyde (4701-17-1) → 5-bromo-thiophene-2-carbaldehyde oxime (2160-63-6)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; at 0 - 20 ℃;

Reference yield: 94.0%

5-bromo-thiophene-2-carbaldehyde oxime (2160-63-6) → 5-bromo-2-thiophene carboxamide (76371-66-9)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

Reference yield: 59.0%

5-bromo-thiophene-2-carbaldehyde oxime (2160-63-6) + N-{4-[3-(3,4,5-trimethoxyphenyl)isoxazol-5-yl]phenyl}-6-(prop-2-ynyloxy)benzo[d]thiazol-2-amine → 6-{[3-(5-bromothiophen-2-yl)isoxazol-5-yl]methoxy}-N-{4-[3-(3,4,5-trimethoxyphenyl)isoxazol-5-yl]phenyl}benzo[d]thiazol-2-amine

Guidance literature:

With sodium hypochlorite; In dichloromethane; water; at 0 - 20 ℃; for 8h;

DOI:10.1134/S1070363220100229

upstream raw materials:

5-bromo-2-thiophencarboxaldehyde

Downstream raw materials:

5-bromo-2-thiophene carboxamide

Refernces

• 1、 Pin, Frédéric,Vercouillie, Johnny,Ouach, Aziz,Mavel, Sylvie,Gulhan, Zuhal,Chicheri, Gabrielle,Jarry, Christian,Massip, Stephane,Deloye, Jean-Bernard,Guilloteau, Denis,Suzenet, Franck,Chalon, Sylvie,Routier, Sylvain. "Design of α7 nicotinic acetylcholine receptor ligands in quinuclidine, tropane and quinazoline series. Chemistry, molecular modeling, radiochemistry, in vitro and in rats evaluations of a [18F] quinuclidine derivative". . p. 214 - 224. Retrieved 2014/06/24.
• 2、 -. "NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND". Page/Page column 51. . Retrieved 2008/06/13.