2,3-Difluoro-6-methoxybenzaldehyde

Base Information

• Chemical Name: 2,3-Difluoro-6-methoxybenzaldehyde
• CAS No.: 187543-87-9
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.131
• Hs Code.: 29130000
• European Community (EC) Number: 642-708-8
• DSSTox Substance ID: DTXSID90378886
• Wikidata: Q72463163
• Mol file: 187543-87-9.mol

Synonyms:2,3-Difluoro-6-methoxybenzaldehyde;187543-87-9;MFCD02093968;Benzaldehyde, 2,3-difluoro-6-methoxy-;5,6-Difluoro-o-anisaldehyde;2-methoxy-5,6-difluorobenzaldehyde;2,3-difluoro-6-methoxy-benzaldehyde;SCHEMBL911855;DTXSID90378886;AKOJAYHBKACKNJ-UHFFFAOYSA-N;2-methoxy-5,6-difluoro-benzaldehyde;BBL103649;STL557459;AKOS005063514;CS-W017620;PS-8672;2,3-Difluoro-6-(methyloxy)benzaldehyde;AC-23840;BP-11140;SY050714;AM20080595;D3885;FT-0609606;EN300-7361166;A813155;J-506956;Z1201621607

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

Chemical Property:

• Vapor Pressure: 0.0571mmHg at 25°C
• Melting Point: 55-57
• Boiling Point: 233°Cat760mmHg
• Flash Point: 92.1°C
• PSA: 26.30000
• Density: 1.289g/cm³
• LogP: 1.78590
• Storage Temp.: under inert gas (nitrogen or Argon) at 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

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about 2,3-Difluoro-6-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: 95.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1,2-difluoro-4-methoxy-benzene (115144-40-6) → 2,3-difluoro-6-methoxybenzaldehyde (187543-87-9)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.08.005

Reference yield: 95.0%

N,N-dimethylthioformamide (758-16-7) + 1,2-difluoro-4-methoxy-benzene (115144-40-6) → 2,3-difluoro-6-methoxybenzaldehyde (187543-87-9)

Guidance literature:

1,2-difluoro-4-methoxy-benzene; With lithium diisopropyl amide; In tetrahydrofuran; at -75 ℃; for 1h;

N,N-dimethylthioformamide; In tetrahydrofuran; water; acetic acid; at -70 - 10 ℃; for 0.166667h;

Reference yield: 95.0%

1,2-difluoro-4-methoxy-benzene (115144-40-6) → 2,3-difluoro-6-methoxybenzaldehyde (187543-87-9)

Guidance literature:

1,2-difluoro-4-methoxy-benzene; With magnesium chloride; In 2-methyltetrahydrofuran; water;

With lithium diisopropyl amide; In 2-methyltetrahydrofuran; hexane; water; Temperature; Time;

DOI:10.1021/op8001596

upstream raw materials:

N,N-dimethyl-formamide

1,2-difluoro-4-methoxy-benzene

3,4-difluorophenol

N,N-dimethylthioformamide

Downstream raw materials:

7-fluoro-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-4-(methyloxy)-1H-indazole

7-fluoro-1-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-ol

3-[2-fluoro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,4- d]pyrimidine-5-carboxylic acid

3-[2-fluoro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,4- d]pyrimidine-5-carboxylic acid (2-hydroxyethyl)trimethylammonium

Refernces

• 1、 -. "TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF". Paragraph 00142. . Retrieved 2018/04/11.
• 2、 -. "SULTAM DERIVATIVES". Page/Page column 45. . Retrieved 2011/06/19.