(E)-2-Fluorobenzaldehyde oxime

Base Information

• Chemical Name: (E)-2-Fluorobenzaldehyde oxime
• CAS No.: 451-79-6
• Molecular Formula: C₇H₆FNO
• Molecular Weight: 139.129
• Hs Code.: 2928009090
• European Community (EC) Number: 653-815-4
• Mol file: 451-79-6.mol

Synonyms:2-FLUOROBENZALDOXIME;451-79-6;(E)-2-Fluorobenzaldehyde oxime;2-Fluorobenzaldehyde oxime;24652-66-2;benzaldehyde,2-fluoro-,oxime;(NE)-N-[(2-fluorophenyl)methylidene]hydroxylamine;(E)-N-[(2-FLUOROPHENYL)METHYLIDENE]HYDROXYLAMINE;2-fluorobenzaldehydeoxime;MFCD00019958;O-Fluorobenzaldoxime;N-[(2-fluorophenyl)methylidene]hydroxylamine;(E)-1-(2-fluorophenyl)-N-hydroxymethanimine;2-Fluorobenzaldehyde oxime #;SCHEMBL1710498;(Z)-2-fluoro-benzaldehyde oxime;YPVOCNRPBFPDLO-UITAMQMPSA-N;YPVOCNRPBFPDLO-WEVVVXLNSA-N;STK082433;AKOS001082022;CS-W020474;AS-30209;Benzaldehyde, 2-fluoro-, oxime, [C(E)]-;EN300-15700;A856631;Z49568531;F2163-0251

Chemical Property of (E)-2-Fluorobenzaldehyde oxime

Chemical Property:

• Boiling Point: 202.9 °C at 760 mmHg
• Flash Point: 76.5 °C
• PSA: 32.59000
• Density: 1.14 g/cm³
• LogP: 1.63380
• Storage Temp.: 2-8°C
• Water Solubility.: at 25 deg C (mg/L): 1559
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluorobenzaldehyde oxime 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-2-Fluorobenzaldehyde oxime

There total 4 articles about (E)-2-Fluorobenzaldehyde 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: 98.8%

2-Fluorobenzaldehyde (446-52-6) → 2-fluorobenzaldehyde oxime (24652-66-2,451-79-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; at 45 ℃; for 1h;

Reference yield: 93.0%

→ 2-fluorobenzaldehyde oxime (24652-66-2,451-79-6)

Guidance literature:

Reference yield:

fluorobenzene (462-06-6) + nitromethane (75-52-5) → 4-fluorobenzaldoxime (459-23-4,7304-35-0) + 2-fluorobenzaldehyde oxime (24652-66-2,451-79-6)

Guidance literature:

With trifluorormethanesulfonic acid; at 70 - 80 ℃; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)74724-1

upstream raw materials:

2-Fluorobenzaldehyde

fluorobenzene

nitromethane

hydroxylamine hydrochloride

Downstream raw materials:

1-Dinitromethyl-2-fluoro-benzene

C₂₆H₃₁FN₄O

C₂₆H₃₀F₂N₄O

C₂₆H₃₀ClFN₄O

Refernces

• 1、 Umm-E-Farwa,Ullah, Saeed,Khan, Maria Aqeel,Zafar, Humaira,Atia-tul-Wahab,Younus, Munisaa,Choudhary, M. Iqbal,Basha, Fatima Z.. "Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors". supporting information. . Retrieved 2021/05/10.
• 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.