2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride

Base Information

• Chemical Name: 2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride
• CAS No.: 118591-69-8
• Molecular Formula: C7H4 Cl F2 N O
• Molecular Weight: 191.565
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID40694124
• Mol file: 118591-69-8.mol

Synonyms:118591-69-8;2,6-difluoro-N-hydroxybenzene-1-carbonimidoyl chloride;2,6-Difluorobenzoyl chloride oxime;SCHEMBL5775733;2,6-difluorobenzoylchloride oxime;DTXSID40694124;QBIPVAANFKTSIG-UHFFFAOYSA-N;FT-0681146;2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride

Chemical Property of 2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 104-106
• Refractive Index: 1.517
• Boiling Point: 271.3°Cat760mmHg
• PKA: 9.83±0.70(Predicted)
• Flash Point: 117.9°C
• PSA: 32.59000
• Density: 1.43g/cm³
• LogP: 2.33940
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.9949478
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

2,6-Difluoro-N-hydroxybenzenecarboximidoylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=NO)Cl)F

Technology Process of 2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride

There total 4 articles about 2,6-Difluoro-N-hydroxybenzene-1-carboximidoyl chloride 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%

(E)-N-[(2,6-difluorophenyl)methylidene]hydroxyl amine → 2,6-difluoro-N-hydroxybenzene-1-carbonimidoyl chloride (118591-69-8)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

Reference yield: 65.0%

2,6-difluoro-benzaldehyde oxime (19064-16-5) → 2,6-difluoro-N-hydroxybenzene-1-carbonimidoyl chloride (118591-69-8)

Guidance literature:

With N-chloro-succinimide; In DMF (N,N-dimethyl-formamide);

Reference yield:

2,6-difluorobenzaldehyde (437-81-0) → 2,6-difluoro-N-hydroxybenzene-1-carbonimidoyl chloride (118591-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium hydrogencarbonate / water; methanol / 2 h / 20 °C

2: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 35 °C

With N-chloro-succinimide; hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2017.03.062

upstream raw materials:

2,6-difluoro-benzaldehyde oxime

2,6-difluorobenzaldehyde

Downstream raw materials:

5-(2,6-Difluorobenzoyl)-2'-deoxyuridine oxime

3-(2,6-Difluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid methyl ester

3-(2,6-Difluoro-phenyl)-4,5-dihydro-isoxazole-4-carboxylic acid methyl ester

5-amino-3-(2,6-difluoro-phenyl)-isoxazole-4-carboxylic acid amide

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