2-Hydroxybenzene-1,3,5-tricarbaldehyde

Base Information

• Chemical Name: 2-Hydroxybenzene-1,3,5-tricarbaldehyde
• CAS No.: 81502-74-1
• Molecular Formula: C9H6O4
• Molecular Weight: 178.144
• Hs Code.: 2912491000
• European Community (EC) Number: 834-352-9
• DSSTox Substance ID: DTXSID00383486
• Nikkaji Number: J1.408.178J
• Wikidata: Q72483224
• Mol file: 81502-74-1.mol

Synonyms:2-hydroxybenzene-1,3,5-tricarbaldehyde;81502-74-1;2-hydroxy-1,3,5-benzenetricarbaldehyde;1,3,5-Benzenetricarboxaldehyde,2-hydroxy-;2-Hydroxy-1,3,5-benzenetricarboxaldehyde;1,3,5-Benzenetricarboxaldehyde, 2-hydroxy-;YSZC146;SCHEMBL1488401;DTXSID00383486;2-hydroxy-1,3,5-triformylbenzene;2-hydroxy-1,3,5-benzenetrialdehyde;MFCD01314207;AKOS005071413;CS-0060198;FT-0654586;H1651;A19204;W17623;9R-0275;J-509665

Chemical Property of 2-Hydroxybenzene-1,3,5-tricarbaldehyde

Chemical Property:

• Vapor Pressure: 0.00191mmHg at 25°C
• Melting Point: 179 °C
• Refractive Index: 1.717
• Boiling Point: 282.9 °C at 760 mmHg
• PKA: 4.20±0.23(Predicted)
• Flash Point: 139.1 °C
• PSA: 71.44000
• Density: 1.449 g/cm³
• LogP: 0.82970
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 178.02660867
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

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

2-Hydroxy-1,3,5-benzenetricarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C=O)O)C=O)C=O

Technology Process of 2-Hydroxybenzene-1,3,5-tricarbaldehyde

There total 5 articles about 2-Hydroxybenzene-1,3,5-tricarbaldehyde 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: 65.0%

trifluoroacetic acid (76-05-1) + phenol (108-95-2,27073-41-2) → 2-hydroxy-1,3,5-benzenetricarbaldehyde (81502-74-1)

Guidance literature:

trifluoroacetic acid; phenol; With hexamethylenetetramine; at 125 ℃; for 20h;

at 150 ℃; for 3h;

DOI:10.1021/acs.joc.9b00651

Reference yield: 54.0%

hexamethylenetetramine (100-97-0) + phenol (108-95-2,27073-41-2) → 2-hydroxy-1,3,5-benzenetricarbaldehyde (81502-74-1)

Guidance literature:

hexamethylenetetramine; phenol; In trifluoroacetic acid; at 118 - 150 ℃; for 23h;

With hydrogenchloride; at 102 ℃; for 0.5h;

DOI:10.1080/00397910008086933

Reference yield: 48.0%

hexamethylenetetramine (100-97-0) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 2-hydroxy-1,3,5-benzenetricarbaldehyde (81502-74-1)

Guidance literature:

hexamethylenetetramine; 4-hydroxy-benzaldehyde; In trifluoroacetic acid; at 98 - 139 ℃; for 17h;

With hydrogenchloride; at 102 ℃; for 0.5h;

DOI:10.1080/00397910008086933

upstream raw materials:

hexamethylenetetramine

4-hydroxy-benzaldehyde

phenol

trifluoroacetic acid

Downstream raw materials:

C₁₉H₂₄N₂O₇

C₂₈H₄₂N₂O₁₀

2,4,6-tris(butylimino)methylphenol

Refernces

• 1、 Redy-Keisar, Orit,Ferber, Shiran,Satchi-Fainaro, Ronit,Shabat, Doron. "NIR Fluorogenic dye as a modular platform for prodrug assembly: Real-time in vivo monitoring of drug release". . p. 999 - 1007. Retrieved 2015.
• 2、 Chen, Minghui,Zhang, Jiabin,Liu, Chenxi,Li, Hongrui,Yang, Hewei,Feng, Yaqing,Zhang, Bao. "Construction of Pyridine-Based Chiral Ionic Covalent Organic Frameworks as a Heterogeneous Catalyst for Promoting Asymmetric Henry Reactions". supporting information. p. 1748 - 1752. Retrieved 2021/04/05.
• 3、 Gu, Long,Liu, Guofeng,Liu, Jia,Qian, Cheng,Wang, Dongdong,Wang, Hou,Wu, Hongwei,Zeng, Yongfei,Zhao, Yanli,Zhou, Weiqiang. "Integrating Suitable Linkage of Covalent Organic Frameworks into Covalently Bridged Inorganic/Organic Hybrids toward Efficient Photocatalysis". supporting information. p. 4862 - 4871. Retrieved 2020/04/01.