2,6-Difluoro-3-methoxybenzaldehyde

Base Information

• Chemical Name: 2,6-Difluoro-3-methoxybenzaldehyde
• CAS No.: 149949-30-4
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.131
• Hs Code.: 2912490090
• European Community (EC) Number: 640-118-5
• DSSTox Substance ID: DTXSID80344732
• Wikidata: Q72463148
• Mol file: 149949-30-4.mol

Synonyms:2,6-Difluoro-3-methoxybenzaldehyde;149949-30-4;Benzaldehyde, 2,6-difluoro-3-methoxy-;MFCD04115899;SCHEMBL953686;DTXSID80344732;2,6-difluoro-3-methoxy-benzaldehyde;2,6-Difluoro-3-methoxybenzaldehyde #;AKOS005254742;PS-8670;AC-26269;2,6-Difluoro-3-methoxybenzaldehyde, 97%;CS-0195345;FT-0755523;E89761;EN300-175018;A808985;Z1162202156

Chemical Property of 2,6-Difluoro-3-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0262mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 247°Cat760mmHg
• Flash Point: 100.3°C
• PSA: 26.30000
• Density: 1.289g/cm³
• LogP: 1.78590
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-3-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)F)C=O)F

Technology Process of 2,6-Difluoro-3-methoxybenzaldehyde

There total 3 articles about 2,6-Difluoro-3-methoxybenzaldehyde 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:

2,4-difluorophenol (367-27-1) → 2,6-difluoro-3-methoxybenzaldehyde (149949-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 5 h / 60 °C

2: 1.) BuLi / 1.) hexane, THF, -65 degC, 0.5 h, 2.) hexane, THF, from -65 deg C to RT

With n-butyllithium; potassium carbonate; In acetone;

DOI:10.1021/jm950639r

Reference yield:

2,4-difluoro-1-methoxybenzene (452-10-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,6-difluoro-3-methoxybenzaldehyde (149949-30-4)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, THF, -65 degC, 0.5 h, 2.) hexane, THF, from -65 deg C to RT;

DOI:10.1021/jm950639r

Reference yield:

N-Formylpiperidine (2591-86-8) + 2,4-difluoro-1-methoxybenzene (452-10-8) → 2,6-difluoro-3-methoxybenzaldehyde (149949-30-4)

Guidance literature:

With sec.-butyllithium; Multistep reaction; 1.) THF, -40 deg C, 15 min, 2.) THF, from -40 deg C to RT;

DOI:10.1016/0223-5234(93)90003-W

upstream raw materials:

N-Formylpiperidine

2,4-difluoro-1-methoxybenzene

N,N-dimethyl-formamide

2,4-difluorophenol

Downstream raw materials:

2-(2,6-difluoro-3-methoxyphenyl)ethyl-amine

2,6-difluoro-α-[(4-fluorophenyl)amino]-3-methoxybenzeneacetonitrile

2-ethynyl-1,3-difluoro-4-methoxybenzene

2,4-dichloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)-1H-imidazole