2-Fluoro-6-hydroxybenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-6-hydroxybenzaldehyde
• CAS No.: 38226-10-7
• Molecular Formula: C7H5FO2
• Molecular Weight: 140.114
• Hs Code.: 2913000090
• European Community (EC) Number: 642-482-0
• DSSTox Substance ID: DTXSID90371993
• Nikkaji Number: J889.037D
• Wikidata: Q72477012
• Mol file: 38226-10-7.mol

Synonyms:2-Fluoro-6-hydroxybenzaldehyde;38226-10-7;6-fluorosalicylaldehyde;MFCD01090996;Benzaldehyde, 2-fluoro-6-hydroxy-;SCHEMBL913980;2-Hydroxy-6-fluorobenzaldehyde;3-Acetamido-2-bromoacetophenone;2-Fluoro-6-hydroxy-benzaldehyde;DTXSID90371993;FZIBGCDUHZBOLA-UHFFFAOYSA-N;CL8284;AKOS005258647;CS-W007917;MB01694;PS-9054;AC-23089;SY027212;A6488;AM20050107;F0988;FT-0602672;EN300-169997;6-Fluorosalicylaldehyde, 3-Fluoro-2-formylphenol;J-509481;Z1201620838

Chemical Property of 2-Fluoro-6-hydroxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.218mmHg at 25°C
• Melting Point: 37-39 °C
• Refractive Index: 1.587
• Boiling Point: 201.3 °C at 760 mmHg
• PKA: 7.18±0.10(Predicted)
• Flash Point: 75.6 °C
• PSA: 37.30000
• Density: 1.35 g/cm³
• LogP: 1.34380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.02735756
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

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

6-Fluorosalicylaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C=O)O
• Uses: 2-FLUORO-6-HYDROXYBENZALDEHYDE is used in the preparation of aromatic compounds as human PAI-1 inhibitors.

Technology Process of 2-Fluoro-6-hydroxybenzaldehyde

There total 9 articles about 2-Fluoro-6-hydroxybenzaldehyde 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: 98.0%

2-fluoro-6-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde (199388-02-8) → 2-fluoro-6-hydroxybenzaldehyde (38226-10-7)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1039/a701102d

Reference yield: 82.0%

→ 2-fluoro-6-hydroxybenzaldehyde (38226-10-7)

Guidance literature:

Reference yield: 65.0%

2-Fluorobenzaldehyde (446-52-6) → 2-fluoro-6-hydroxybenzaldehyde (38226-10-7)

Guidance literature:

With palladium diacetate; toluene-4-sulfonic acid; 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate; acetic acid; 2-Amino-4-chlorobenzoic acid; at 90 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.7b02906

upstream raw materials:

formaldehyd

3-fluorophenol

2-fluoro-6-((tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde

3-Fluor-o-kresylacetat

Downstream raw materials:

C₁₄H₁₂FN₃O

C₈H₄F₄O₄S

(1'S,4R)-N-(3,5-dimethoxyphenyl)-5-fluoro-3'H-spiro[chroman-2,1'-isobenzofuran]-4-amine

N,N'-bis(6-fluorosalicylidene)-1,2-phenylenediamine

Refernces

• 1、 -. "C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF". Paragraph 0096; 0378; 0382; 0383. . Retrieved 2017/04/19.
• 2、 Li, Yi-Xian,Iwaki, Ren,Kato, Atsushi,Jia, Yue-Mei,Fleet, George W. J.,Zhao, Xuan,Xiao, Min,Yu, Chu-Yi. "Fluorinated Radicamine A and B: Synthesis and Glycosidase Inhibition". . p. 1429 - 1438. Retrieved 2016/03/16.