Isophthalaldehyde

Base Information

• Chemical Name: Isophthalaldehyde
• CAS No.: 626-19-7
• Molecular Formula: C8H6O2
• Molecular Weight: 134.134
• Hs Code.: 29122900
• European Community (EC) Number: 210-935-8
• NSC Number: 5092
• UNII: LU162B2N9X
• DSSTox Substance ID: DTXSID30870718
• Nikkaji Number: J53.655E
• Wikipedia: Isophthalaldehyde
• Wikidata: Q27283179
• ChEMBL ID: CHEMBL2289228
• Mol file: 626-19-7.mol

Synonyms:Isophthalaldehyde;626-19-7;m-Phthalaldehyde;1,3-Benzenedicarboxaldehyde;benzene-1,3-dicarbaldehyde;Isophthaldehyde;1,3-benzenedialdehyde;Isophthaldialdehyde;Isophtaldehydes;Benzene-1,3-dicarboxaldehyde;Isophtaldehydes [French];3-Phthalaldehyde;Isophthalic dicarboxaldehyde;MFCD00003372;NSC 5092;EINECS 210-935-8;BRN 1561038;UNII-LU162B2N9X;LU162B2N9X;NSC-5092;4-07-00-02139 (Beilstein Handbook Reference);isophtalaldehyde;iso-phthalaldehyde;3-formylbenzaldehyde;Isophthalaldehyde, 97%;Benzene 1,3 dicarbaldehyde;BENZENEDICARBOXALDEHYDE;SCHEMBL180566;CHEMBL2289228;HSDB 8459;DTXSID30870718;NSC5092;BCP24518;AKOS003628495;NCGC00188276-01;30025-33-3;AS-10887;BP-10519;LS-85181;SY007029;AM20061091;CS-0015077;FT-0627448;I0153;EN300-21269;AT-051/40181211;Isophthalaldehyde, Vetec(TM) reagent grade, 97%;J-521559;Q27283179

Chemical Property of Isophthalaldehyde

Chemical Property:

• Appearance/Colour: colourless or light yellow crystals
• Vapor Pressure: 0.0164mmHg at 25°C
• Melting Point: 87-88 °C(lit.)
• Refractive Index: 1.622
• Boiling Point: 255.3 °C at 760 mmHg
• Flash Point: 94.1 °C
• PSA: 34.14000
• Density: 1.189 g/cm³
• LogP: 1.31160
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.036779430
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

Isophthalaldehyde >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C=O)C=O
• Uses: Isophthalaldehyde is used in the synthesis of binuclear ruthenium complex. It participates in base-catalyzed Knoevenagel condensation reaction. Isophthalaldehyde is used in the synthesis of binuclear ruthenium complex.

Technology Process of Isophthalaldehyde

There total 60 articles about Isophthalaldehyde 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%

1,3-dimethanol benzene (626-18-6) → Isophthalaldehyde (626-19-7)

Guidance literature:

With manganese(IV) oxide; molecular sieve; In hexane; for 3h; Heating;

DOI:10.1039/a805342a

Reference yield: 93.0%

1,3-dimethanol benzene (626-18-6) → Isophthalaldehyde (626-19-7) + 3-(hydroxymethyl)benzaldehyde (52010-98-7)

Guidance literature:

With oxygen; potassium carbonate; palladium diacetate; In N,N-dimethyl acetamide; at 100 ℃; for 12h; under 760.051 Torr;

DOI:10.1139/V08-075

Reference yield: 90.0%

1,3-bis-(bromomethyl)benzene (626-15-3) → Isophthalaldehyde (626-19-7)

Guidance literature:

With bis-{4-methoxy-phenyl}-selenoxyde; sodium hydrogencarbonate; In acetonitrile; at 75 ℃; for 5h;

DOI:10.1246/cl.1984.891

upstream raw materials:

1,3-di(aminomethyl)benzene

ethanol

α,α,α',α'-tetrabromo-m-xylene

potassium oxalate

Downstream raw materials:

1,3-bis((E)-2-(pyridin-4-yl)vinyl)benzene

1,3-bis-[bis-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-yl)-methyl]-benzene

1,3-Bis<(E)-(2-acetylethenyl)>benzol

opt.-inakt. 1,3-Bis-(1-hydroxy-isopentyl)-benzol

Refernces

• 1、 You, Shengyong,Zhang, Rongli,Cai, Mingzhong. "A Magnetically Recyclable Palladium-Catalyzed Formylation of Aryl Iodides with Formic Acid as CO Source: A Practical Access to Aromatic Aldehydes". supporting information. p. 1962 - 1970. Retrieved 2021/01/25.
• 2、 Ahemed, Jakeer,Bhongiri, Yadagiri,Chetti, Prabhakar,Gade, Ramesh,Kore, Ranjith,Pasha, Jakeer,Pola, Someshwar,Rao D, Venkateshwar. "Synthesis of new Zn (II) complexes for photo decomposition of organic dye pollutants, industrial wastewater and photo-oxidation of methyl arenes under visible-light". . . Retrieved 2021/07/28.