6-Chloro-2-fluoro-3-methoxybenzaldehyde

Base Information

• Chemical Name: 6-Chloro-2-fluoro-3-methoxybenzaldehyde
• CAS No.: 112641-64-2
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID80393841
• Wikidata: Q82192834
• Mol file: 112641-64-2.mol

Synonyms:6-Chloro-2-fluoro-3-methoxybenzaldehyde;112641-64-2;MFCD04115946;6-chloro-2-fluoro-3-methoxy-benzaldehyde;SCHEMBL1764794;DTXSID80393841;OADUJQWBRPRPQX-UHFFFAOYSA-N;AKOS015956766;AS-36233;SY102503;CS-0188016;6-Chloro-2-fluoro-3-methoxybenzaldehyde, 97%;EN300-7400556;A894559;Z1255458151

Chemical Property of 6-Chloro-2-fluoro-3-methoxybenzaldehyde

Chemical Property:

• Melting Point: 95-100℃
• Boiling Point: 264.9±35.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.334±0.06 g/cm3(Predicted)
• LogP: 2.30020
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-2-fluoro-3-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)Cl)C=O)F
• Uses: 6-Chloro-2-fluoro-3-methoxybenzaldehyde is a useful research chemical. Used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings.

Technology Process of 6-Chloro-2-fluoro-3-methoxybenzaldehyde

There total 4 articles about 6-Chloro-2-fluoro-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: 70.0%

4-chloro-2-fluoro-1-methoxybenzene (452-09-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-6-fluoro-5-methoxybenzaldehyde (112641-64-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; cyclohexane; at -60 ℃; Flow reactor;

DOI:10.1021/op500213j

Reference yield:

1-fluoro-2-methoxybenzene (321-28-8) → 2-chloro-6-fluoro-5-methoxybenzaldehyde (112641-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / acetic acid / 4 h

2: 1.) sec-butyl-lithium / 1.) THF, -40 deg C, 15 min, 2.) THF, from -40 deg C to RT

With sec.-butyllithium; chlorine; In acetic acid;

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

Reference yield:

N-Formylpiperidine (2591-86-8) + 4-chloro-2-fluoro-1-methoxybenzene (452-09-5) → 2-chloro-6-fluoro-5-methoxybenzaldehyde (112641-64-2)

Guidance literature:

With sec.-butyllithium; Yield given. 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

4-chloro-2-fluoro-1-methoxybenzene

1-fluoro-2-methoxybenzene

N,N-dimethyl-formamide

Downstream raw materials:

2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid((1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide

2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-5-dimethylamino-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid methyl ester

2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-5-dimethylamino-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid ethyl ester

2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-2-phenyl-ethyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid ((1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide