Phthalan

Base Information

• Chemical Name: Phthalan
• CAS No.: 496-14-0
• Molecular Formula: C8H8O
• Molecular Weight: 120.151
• Hs Code.: 29321900
• European Community (EC) Number: 207-815-2
• UNII: 2R6NTQ7Y6G
• DSSTox Substance ID: DTXSID60197920
• Nikkaji Number: J6.090I
• Wikipedia: Phthalane
• Wikidata: Q7188202
• ChEMBL ID: CHEMBL457734
• Mol file: 496-14-0.mol

Synonyms:1,3-dihydro isobenzofuran;1,3-dihydro-2-benzofuran;1,3-dihydroisobenzofuran;phthalan;phthalane

Chemical Property of Phthalan

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.696mmHg at 25°C
• Melting Point: 6oC
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 191.999 °C at 760 mmHg
• Flash Point: 63.333 °C
• PSA: 9.23000
• Density: 1.097 g/cm³
• LogP: 1.71680
• Solubility.: Low aqueous solubility.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 120.057514874
• Heavy Atom Count: 9
• Complexity: 88.7

Purity/Quality:

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

Phthalan ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25-3/9/49

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzofuran Derivatives
• Canonical SMILES: C1C2=CC=CC=C2CO1
• Uses: Phthalan s a benzofuran compound participating in a variety of organic reactions. It is used in the arylation of tetrahydroquinolines and isochromans, as well as the oxidation and amination of benzylic sp3 C-H bonds.

Technology Process of Phthalan

There total 65 articles about Phthalan 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: 96.0%

o-Xylylene dichloride (612-12-4) → 1,3-dihydroisobenzofuran (496-14-0)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 4h; pH=12;

Reference yield: 95.0%

phthalyl alcohol (612-14-6) → 1,3-dihydroisobenzofuran (496-14-0)

Guidance literature:

With sodium methylate; In carbonic acid dimethyl ester; acetonitrile; for 4h; Inert atmosphere;

DOI:10.1002/cssc.201100755

Reference yield: 92.0%

o-Xylylene dichloride (612-12-4) → 1,3-dihydroisobenzofuran (496-14-0) + phthalyl alcohol (612-14-6) + 2-(chloromethyl)-phenyl methanol (142066-41-9)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 4h; pH=7;

upstream raw materials:

phthalic anhydride

phthalyl alcohol

methanol

2-(Methoxymethyl)benzaldehyde tosylhydrazone

Downstream raw materials:

1-Ethoxy-1,3-dihydroisobenzofuran

2-benzofuran-1(3H)-one

1,3-dihydroisobenzofuran-1-ol

o-phthalic dicarboxaldehyde

Refernces

• 1、 Zhu, Quan-Jing,Dai, Wei-Lin,Fan, Kang-Nian. "A green process for the oxidative lactonization of 1,2-benzenedimethanol by tungstic acid with aqueous H2O2". . p. 205 - 208. Retrieved 2010.
• 2、 Jia, Wenqiang,Xi, Qiumu,Liu, Tianqi,Yang, Minjian,Chen, Yonghui,Yin, Dali,Wang, Xiaojian. "One-Pot Synthesis of O-Heterocycles or Aryl Ketones Using an InCl3/Et3SiH System by Switching the Solvent". . p. 5141 - 5149. Retrieved 2019/05/10.
• 3、 Asai, Shota,Kato, Maho,Monguchi, Yasunari,Sajiki, Hironao,Sawama, Yoshinari. "Cyclic ether synthesis from diols using trimethyl phosphate". supporting information. p. 4787 - 4790. Retrieved 2017/07/06.