2,4-Dihydroxy-5-methoxybenzaldehyde

Base Information

• Chemical Name: 2,4-Dihydroxy-5-methoxybenzaldehyde
• CAS No.: 51061-83-7
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 2912499000
• European Community (EC) Number: 694-544-1
• DSSTox Substance ID: DTXSID70458271
• Nikkaji Number: J1.701.773J
• Wikidata: Q82281476
• Mol file: 51061-83-7.mol

Synonyms:2,4-Dihydroxy-5-methoxybenzaldehyde;51061-83-7;MFCD07626333;SCHEMBL1004432;DTXSID70458271;ZFZAFNQYRZGWNK-UHFFFAOYSA-N;AKOS003368778;LS-08249;SY264741;2,4-Dihydroxy-5-methoxybenzaldehyde, 97%;CS-0374022;FT-0728853

Chemical Property of 2,4-Dihydroxy-5-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 2.13E-05mmHg at 25°C
• Melting Point: 148-153°C
• Refractive Index: 1.63
• Boiling Point: 350.7 °C at 760 mmHg
• PKA: 7.58±0.23(Predicted)
• Flash Point: 148.2 °C
• PSA: 66.76000
• Density: 1.378 g/cm³
• LogP: 0.91890
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2,4-dihydroxy-5-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C=O)O)O

Technology Process of 2,4-Dihydroxy-5-methoxybenzaldehyde

There total 15 articles about 2,4-Dihydroxy-5-methoxybenzaldehyde 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: 92.12%

asaraldehyde (4460-86-0,14374-62-0) → 2,4-dihydroxy-5-methoxybenzaldehyde (51061-83-7)

Guidance literature:

asaraldehyde; With aluminum (III) chloride; In dichloromethane; at 20 ℃; Reflux;

With hydrogenchloride; In dichloromethane; water;

DOI:10.2174/157018012799859972

Reference yield: 77.0%

4-formyl-5-iodo-2-methoxyphenyl-2,2-dimethylpropanoate (1023595-24-5) → 2,4-dihydroxy-5-methoxybenzaldehyde (51061-83-7)

Guidance literature:

With copper(I) oxide; 2-pyridinealdoxime; cesium hydroxide monohydrate; tetrabutylammomium bromide; for 10h; Inert atmosphere;

DOI:10.3390/molecules181215613

Reference yield: 50.0%

asaraldehyde (4460-86-0,14374-62-0) → 2,4-dihydroxy-5-methoxybenzaldehyde (51061-83-7) + 2-hydroxy-4,5-dimethoxybenzaldehyde (14382-91-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 1h; Ambient temperature;

upstream raw materials:

hydrogen cyanide

4-methoxybenzene-1,3-diol

asaraldehyde

hydrogenchloride

Downstream raw materials:

2-biphenyl-4-yl-6-methoxy-3-phenyl-chromen-7-one

3-(3,4-dimethoxy-phenyl)-6-methoxy-2-(2,4,6-trimethoxy-phenyl)-chromen-7-one

2-biphenyl-4-yl-3-(3,4-dimethoxy-phenyl)-6-methoxy-chromen-7-one

2-biphenyl-4-yl-3-(3,4-dimethoxy-phenyl)-7-hydroxy-6-methoxy-chromenylium; chloride

Refernces

• 1、 Shi, Wei,Zhang, Jinlu,Bao, Na,Guan, Fuqin,Chen, Li,Sun, Jianbo. "Design, synthesis, and cytotoxic evaluation of novel scopoletin derivatives". . p. 641 - 646. Retrieved 2018.
• 2、 Chen, Li,Deng, Qi,Lei, Zhichao,Li, Na,Sun, Jianbo,Wang, Kun,Yu, Nairong. "Design, synthesis and biological activity evaluation of novel scopoletin-NO donor derivatives against MCF-7 human breast cancer in vitro and in vivo". . . Retrieved 2021/07/28.
• 3、 Chen, Cheng,Chen, Li,Lei, Zhichao,Li, Na,Shi, Zhixian,Sun, Jianbo,Wang, Yujin. "Novel NO-releasing scopoletin derivatives induce cell death via mitochondrial apoptosis pathway and cell cycle arrest". . . Retrieved 2020/05/19.