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Phthalide

Base Information
  • Chemical Name:Phthalide
  • CAS No.:87-41-2
  • Deprecated CAS:1135443-46-7
  • Molecular Formula:C8H6O2
  • Molecular Weight:134.134
  • Hs Code.:29322980
  • European Community (EC) Number:201-744-0
  • NSC Number:1469
  • UNII:8VV922U86J
  • DSSTox Substance ID:DTXSID0052594
  • Nikkaji Number:J95.650C
  • Wikipedia:Phthalide
  • Wikidata:Q7188203
  • Metabolomics Workbench ID:45552
  • ChEMBL ID:CHEMBL2391738
  • Mol file:87-41-2.mol
Phthalide

Synonyms:phthalide

Suppliers and Price of Phthalide
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Phthalide
  • 100g
  • $ 185.00
  • TRC
  • Phthalide
  • 25g
  • $ 135.00
  • TCI Chemical
  • Phthalide >98.0%(GC)
  • 25g
  • $ 18.00
  • TCI Chemical
  • Phthalide >98.0%(GC)
  • 500g
  • $ 103.00
  • Sigma-Aldrich
  • Phthalide analytical standard
  • 100mg
  • $ 64.10
  • Sigma-Aldrich
  • Phthalide 98%
  • sample
  • $ 50.00
  • Sigma-Aldrich
  • Phthalide 98%
  • 100g
  • $ 32.10
  • Sigma-Aldrich
  • Phthalide 98%
  • 500g
  • $ 133.00
  • Medical Isotopes, Inc.
  • Phthalide
  • 25 g
  • $ 610.00
  • Matrix Scientific
  • Isobenzofuran-1(3H)-one 95%+
  • 1g
  • $ 101.00
Total 181 raw suppliers
Chemical Property of Phthalide
Chemical Property:
  • Appearance/Colour:White to light beige crystalline powder 
  • Vapor Pressure:0.00213mmHg at 25°C 
  • Melting Point:71-74 °C(lit.) 
  • Refractive Index:1.585 
  • Boiling Point:289.999 °C at 760 mmHg 
  • Flash Point:124.844 °C 
  • PSA:26.30000 
  • Density:1.265 g/cm3 
  • LogP:1.35700 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:Chloroform (Slightly), Methanol (Slightly) 
  • Water Solubility.:sparingly soluble 
  • XLogP3:0.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:0
  • Exact Mass:134.036779430
  • Heavy Atom Count:10
  • Complexity:153
Purity/Quality:

99.5%min *data from raw suppliers

Phthalide *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
  • Statements: 36-36/37/38 
  • Safety Statements: 26-36-24/25-37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Other Classes -> Esters, Other
  • Canonical SMILES:C1C2=CC=CC=C2C(=O)O1
  • Description White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.
  • Uses Phthalide may be used in scaffolds for the design of high potency monoamine oxidase (MAO) inhibitors.
Technology Process of Phthalide

There total 443 articles about Phthalide 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:
Guidance literature:
With sodium tetrahydroborate; In methanol; tert-butyl alcohol; Heating;
DOI:10.1246/bcsj.57.1948
Guidance literature:
With sodium hydroxide; In water; a) RT, 1 h, b) reflux, 10 h;
DOI:10.1021/jo00384a002
Guidance literature:
With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; at 40 ℃; for 4.5h;
DOI:10.1246/bcsj.61.2684
Refernces

Synthesis and characterization of 1,3-diarylbenzo[c]selenophenes

10.1016/j.tet.2008.06.002

The study focuses on the synthesis and characterization of 1,3-diarylbenzo[c]selenophenes, which are conjugated macromolecules with potential applications due to their unique electrical and optical properties. The researchers used a selenium transfer reaction involving keto-alcohol/benzo[c]furan and Woollins reagent to synthesize a series of symmetrical and unsymmetrical 1,3-diarylbenzo[c]selenophenes. The chemicals used in the study include phthalides, aryl/hetero-arylmagnesium bromides, and Woollins reagent. Phthalides served as the starting materials, aryl/hetero-arylmagnesium bromides were used as Grignard reagents to open the ring of the phthalides, and Woollins reagent was employed as a selenium transfer agent to convert the intermediate keto-alcohols or benzo[c]furans into the target benzo[c]selenophenes. The purpose of these chemicals was to facilitate the formation of stable benzo[c]selenophene analogs, which were then studied for their optical and electrochemical properties to further understand their potential use in materials science, particularly in the development of electronic materials such as organic light-emitting diodes (OLEDs).

Indole β-Nucleophilic Substitution. Part 3. Synthesis of Four Isomeric Pyridooxepino<3,2-b>indolones

10.1039/P19820000435

The research focuses on the synthesis of four isomeric pyrido[x',y' : 5,6]oxepino[3,2-b]indolones through an intramolecular indole P-nucleophilic substitution process. The purpose of this study was to explore a new aspect of indole chemistry and to construct new heterocyclic systems. The researchers used 2-lithio-1-phenylsulphonylindole, which was condensed with four pyridine analogues of phthalide to produce 1-phenylsulphonylindol-2-yl O-hydroxymethylpyridyl ketones. Upon treatment with a base, these ketones underwent intramolecular indole P-nucleophilic substitution to yield the title compounds. The study concluded that the process was efficient and insensitive to changes in the relative position (or presence) of pyridine ring nitrogen in precursors, demonstrating the potential versatility of intramolecular indole P-nucleophilic substitution for constructing hetero polycyclic systems. Key chemicals used in the process included 2-lithio-1-phenylsulphonylindole, pyridine lactones, and various bases for the cyclization step.

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