2-Fluororesorcinol

Base Information

• Chemical Name: 2-Fluororesorcinol
• CAS No.: 103068-40-2
• Molecular Formula: C6H5FO2
• Molecular Weight: 128.103
• Hs Code.: 2908990000
• European Community (EC) Number: 890-051-2
• DSSTox Substance ID: DTXSID70443304
• Wikidata: Q82261055
• ChEMBL ID: CHEMBL2332775
• Mol file: 103068-40-2.mol

Synonyms:2-Fluororesorcinol;2-fluorobenzene-1,3-diol;103068-40-2;1,3-Benzenediol, 2-fluoro-;MFCD09835187;2-fluoro resorcinol;2,6-Dihydroxyfluorobenzene;2-Fluoro-benzene-1,3-diol;SCHEMBL1003091;CHEMBL2332775;dimethyl 2-cyanobenzylphosphonate;DTXSID70443304;AGQVUPRGSFUGMJ-UHFFFAOYSA-N;AKOS005259511;AC-3822;AM61720;CS-W023065;AS-19060;FT-0651932;A19879;EN300-173150;A1-20821;Z1198233471

Chemical Property of 2-Fluororesorcinol

Chemical Property:

• Vapor Pressure: 0.064mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.577
• Boiling Point: 223.547 °C at 760 mmHg
• PKA: 8.19±0.10(Predicted)
• Flash Point: 88.998 °C
• PSA: 40.46000
• Density: 1.415 g/cm³
• LogP: 1.23690
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.02735756
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99.3% ^*data from raw suppliers

2-Fluorobenzene-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluororesorcinol

There total 8 articles about 2-Fluororesorcinol 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%

1,3-dimethoxy-2-fluorobenzene (195136-68-6) → 2-fluoro resorcinol (103068-40-2)

Guidance literature:

With boron tribromide; In dichloromethane;

DOI:10.1021/jo9706178

Reference yield: 93.0%

2-fluoro-3-methoxyphenol (447462-87-5) → 2-fluoro resorcinol (103068-40-2)

Guidance literature:

2-fluoro-3-methoxyphenol; With boron tribromide; In dichloromethane; at -78 ℃;

With water; In dichloromethane; at -78 ℃;

Reference yield: 64.0%

recorcinol (108-46-3) → 4-fluororesorcinol (103068-41-3) + 2-fluoro resorcinol (103068-40-2)

Guidance literature:

With caesium fluoroxysulphate; boron trifluoride diethyl etherate; In acetonitrile; for 6h;

DOI:10.1021/jo00366a044

upstream raw materials:

recorcinol

1,3-dimethoxy-2-fluorobenzene

2,3,4-trifluoronitrobenzene

2-fluoro-1,3-dimethoxy-4-nitrobenzene

Downstream raw materials:

6-nitroso-2-fluororesorcinol

1,3-dimethoxy-2-fluorobenzene

C₁₉H₁₆FNO₄

1,3-dimethoxy-4-bromo-2-fluorobenzene

Refernces

• 1、 Patrick, Timothy B.,Darling, Diana L.. "Fluorination of Activated Aromatic Systems with Cesium Fluoroxysulfate". . p. 3242 - 3244. Retrieved 1986.
• 2、 -. "ALPHA, BETA-UNSATURATED AMIDE COMPOUND". Paragraph 0624. . Retrieved 2020/12/10.
• 3、 -. "a, ? UNSATURATED AMIDE COMPOUND". Paragraph 0505. . Retrieved 2018/11/27.