1-Fluoro-4-(triethoxymethyl)benzene

Base Information

• Chemical Name: 1-Fluoro-4-(triethoxymethyl)benzene
• CAS No.: 10345-73-0
• Molecular Formula: C10H13FO3
• Molecular Weight: 200.21
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80507986
• Wikidata: Q82364628
• Mol file: 10345-73-0.mol

Synonyms:1-fluoro-4-(triethoxymethyl)benzene;10345-73-0;55003-40-2;DTXSID80507986

Chemical Property of 1-Fluoro-4-(triethoxymethyl)benzene

Chemical Property:

• PSA: 27.69000
• LogP: 3.04550
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 242.13182263
• Heavy Atom Count: 17
• Complexity: 186

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Fluoro-4-(triethoxymethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CC=C(C=C1)F)(OCC)OCC

Technology Process of 1-Fluoro-4-(triethoxymethyl)benzene

There total 4 articles about 1-Fluoro-4-(triethoxymethyl)benzene 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: 92.0%

→ trimethyl ortho(p-fluorobenzoate) (10345-73-0)

Guidance literature:

With boron trifluoride; In Hexadecane; at 110 ℃; for 6h; Autoclave;

Reference yield:

p-fluorotoluene (352-32-9) → trimethyl ortho(p-fluorobenzoate) (10345-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / Irradiation

2: NaOMe

With sodium methylate; chlorine;

DOI:10.1016/S0040-4020(01)92493-7

Reference yield:

4-fluoro-1-trichloromethylbenzene (402-42-6) + sodium methylate (124-41-4) → trimethyl ortho(p-fluorobenzoate) (10345-73-0)

Guidance literature:

In methanol;

DOI:10.1021/ja00965a030

upstream raw materials:

methanol

4-fluoro-1-trichloromethylbenzene

sodium methylate

p-fluorotoluene

Downstream raw materials:

3-(4-fluoro-phenyl)-6,6,8-trimethyl-5,8-dihydro-6H-5,8-ethano-pyrano[4,3-e][1,2,4]triazine

6-(3-tert-butyl-4,4-dimethyl-4,5-dihydro-furan-2-yl)-2-(4-fluoro-phenyl)-benzooxazol-4-ol