2-Bromo-4-(diethoxymethyl)-1-fluorobenzene

Base Information

• Chemical Name: 2-Bromo-4-(diethoxymethyl)-1-fluorobenzene
• CAS No.: 81658-88-0
• Molecular Formula: C11H14BrFO2
• Molecular Weight: 277.133
• DSSTox Substance ID: DTXSID60519249
• Wikidata: Q82382286
• Mol file: 81658-88-0.mol

Synonyms:2-bromo-4-(diethoxymethyl)-1-fluorobenzene;81658-88-0;SCHEMBL570123;DTXSID60519249;PREDXFYLLZUMTN-UHFFFAOYSA-N

Chemical Property of 2-Bromo-4-(diethoxymethyl)-1-fluorobenzene

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.01612
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-(diethoxymethyl)-1-fluorobenzene

There total 1 articles about 2-Bromo-4-(diethoxymethyl)-1-fluorobenzene 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: 88.0%

3-bromo-4-fluorobenzaldehyde (77771-02-9) + orthoformic acid triethyl ester (122-51-0) → 2-bromo-4-(diethoxymethyl)-1-fluorobenzene (81658-88-0)

Guidance literature:

With tetra-N-butylammonium tribromide; In ethanol; at 20 ℃; for 48h;

Reference yield: 75.0%

2-bromo-4-(diethoxymethyl)-1-fluorobenzene (81658-88-0) + 1-(1,1-diphenylmethyl)azetidine-3-carbonitrile (36476-86-5) → 1-benzhydryl-3-(2-bromo-4-(diethoxymethyl)phenyl)azetidine-3-carbonitrile (1357614-76-6)

Guidance literature:

With potassium hexamethylsilazane; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

2-bromo-4-(diethoxymethyl)-1-fluorobenzene (81658-88-0) → 1-benzhydryl-3-(2-bromo-4-(diethoxymethyl)phenyl)azetidine-3-carboxylic acid (1398609-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hexamethylsilazane / tetrahydrofuran / 1 h / 20 °C

2.1: sodium hydroxide; water / ethanol / 36 h / Reflux

2.2: 0.25 h / pH Ca_.5 - Ca_.7

With water; potassium hexamethylsilazane; sodium hydroxide; In tetrahydrofuran; ethanol;

upstream raw materials:

3-bromo-4-fluorobenzaldehyde

orthoformic acid triethyl ester

Downstream raw materials:

1-benzhydryl-3-(2-bromo-4-(diethoxymethyl)phenyl)azetidine-3-carboxylic acid

1-benzhydryl-5'-(diethoxymethyl)spiro[azetidine-3,1'-isoindolin]-3'-one

C₂₈H₂₉BrN₂O₃

tert-butyl 5'-(5-(3,5-bis(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'-oxospiro[azetidine-3,1'-isoindoline]-1-carboxylate