Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro-

Base Information

• Chemical Name: Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro-
• CAS No.: 311464-46-7
• Molecular Formula: C9H10FNO4
• Molecular Weight: 215.181
• DSSTox Substance ID: DTXSID20479714
• Wikidata: Q82313873
• Mol file: 311464-46-7.mol

Synonyms:311464-46-7;4-(dimethoxymethyl)-1-fluoro-2-nitrobenzene;Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro-;SCHEMBL7383304;DTXSID20479714

Chemical Property of Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.05938596
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC(=C(C=C1)F)[N+](=O)[O-])OC

Technology Process of Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro-

There total 2 articles about Benzene, 4-(dimethoxymethyl)-1-fluoro-2-nitro- 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:

4-fluoro-3-nitrobenzaldehyde (42564-51-2) + trimethyl orthoformate (149-73-5) → 4-fluoro-3-nitro-benzaldehyde dimethyl acetal (311464-46-7)

Guidance literature:

With pyridinium p-toluenesulfonate; In dichloromethane;

DOI:10.1016/j.tetlet.2005.01.126

Reference yield:

methanol (67-56-1) + 4-fluoro-3-nitrobenzaldehyde (42564-51-2) → 4-fluoro-3-nitro-benzaldehyde dimethyl acetal (311464-46-7)

Guidance literature:

With Dowex 50 H⁺;

DOI:10.1021/jm00160a030

Reference yield: 60.0%

4-fluoro-3-nitro-benzaldehyde dimethyl acetal (311464-46-7) + acetic acid 2-[4-(5-acetoxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-11-en-6-yloxy]-4-dimethylamino-6-methyl-tetrahydro-pyran-3-yl ester (438046-02-7) → C51H80N2O18 (862843-27-4)

Guidance literature:

With potassium hexamethylsilazane; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.tetlet.2005.01.126

upstream raw materials:

methanol

4-fluoro-3-nitrobenzaldehyde

trimethyl orthoformate

Downstream raw materials:

C₅₁H₈₀N₂O₁₈

4-fluoro-3-hydroxybenzaldehyde

4-fluorophenylephrine

3-benzyloxy-4-fluorobenzaldehyde