2,4,6-Trimethoxybenzaldehyde

Base Information

• Chemical Name: 2,4,6-Trimethoxybenzaldehyde
• CAS No.: 830-79-5
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 29124990
• European Community (EC) Number: 212-598-2
• UNII: JD365X6J84
• DSSTox Substance ID: DTXSID70232119
• Nikkaji Number: J109K
• Wikidata: Q72513686
• ChEMBL ID: CHEMBL2234486
• Mol file: 830-79-5.mol

Synonyms:2,4,6-Trimethoxybenzaldehyde;830-79-5;Benzaldehyde, 2,4,6-trimethoxy-;BRN 1956051;EINECS 212-598-2;MFCD00003313;AI3-36672;JD365X6J84;SCHEMBL34873;UNII-JD365X6J84;2,4,6-Trimethoxy-benzaldehyde;2,4,6-trimethoxybenz aldehyde;2,4,6-trimethoxybenz-aldehyde;CHEMBL2234486;CRBZVDLXAIFERF-UHFFFAOYSA-;DTXSID70232119;BCP33590;BBL027431;CK2089;STL373484;ZB1376;2,4,6-Trimethoxybenzaldehyde, 98%;AKOS000120758;CS-W009225;AC-12837;AS-14420;LS-25169;SY015346;AM20050246;FT-0633009;T2651;EN300-17219;A840488;A840500;A842494;AB-131/40897219;W-104152;Z56899127;F0001-2130

Chemical Property of 2,4,6-Trimethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: pink crystal power
• Vapor Pressure: 9.37E-05mmHg at 25°C
• Melting Point: 115-120 °C(lit.)
• Refractive Index: 1.524
• Boiling Point: 339.1 °C at 760 mmHg
• Flash Point: 151.3 °C
• PSA: 44.76000
• Density: 1.133 g/cm³
• LogP: 1.52490
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34
• Safety Statements: 22-24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC
• Uses: 2,4,6-Trimethoxybenzaldehyde was used in the preparation and characterization of three RNA-specific fluorescent probes and their use in live cell imaging. It was used as starting reagent for the regioselective synthesis of new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins.

Technology Process of 2,4,6-Trimethoxybenzaldehyde

There total 29 articles about 2,4,6-Trimethoxybenzaldehyde 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: 99.0%

1,2,3-trimethoxybenzene (621-23-8) + difluoromethyl phenyl sulfide (1535-67-7) → 2,4,6-trimethoxybenzaldehyde (830-79-5)

Guidance literature:

1,2,3-trimethoxybenzene; difluoromethyl phenyl sulfide; With tin(IV) chloride; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; dimethyl sulfoxide; at 20 ℃; for 2h;

DOI:10.1055/s-0036-1591545

Reference yield: 99.0%

2,4,6-trimethoxybenzyl alcohol (61040-78-6) → 2,4,6-trimethoxybenzaldehyde (830-79-5)

Guidance literature:

With potassium osmate; chloroamine-T; In water; tert-butyl alcohol; for 0.416667h; chemoselective reaction;

DOI:10.1016/j.tetlet.2013.09.036

Reference yield: 98.0%

1,2,3-trimethoxybenzene (621-23-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4,6-trimethoxybenzaldehyde (830-79-5)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

1,2,3-trimethoxybenzene

hydrogen cyanide

Formanilid

2-hydroxy-4,6-dimethoxybenzaldehyde

Downstream raw materials:

2,4,6-trimethoxy-cinnamic acid

1-(2,4,6-trimethoxyphenyl)-2-nitro-1-propene

1-(2,4,6-trimethoxy-phenyl)-ethanol

(2,4,6-trimethoxyphenyl)phenylmethanol

Refernces

• 1、 Zhen, Jingsong,Du, Xian,Xu, Xiaohong,Li, Yihui,Yuan, Han,Xu, Dejing,Xue, Can,Luo, Yong. "Visible-Light-Mediated Late-Stage Sulfonylation of Boronic Acids via N-S Bond Activation of Sulfonamides". . p. 1986 - 1991. Retrieved 2022/02/07.
• 2、 Upadhyay, Rahul,Kumar, Shashi,Maurya, Sushil K.. "V2O5@TiO2 Catalyzed Green and Selective Oxidation of Alcohols, Alkylbenzenes and Styrenes to Carbonyls". . p. 3594 - 3600. Retrieved 2021/07/02.