3,4,5-Trimethoxybenzyl alcohol

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzyl alcohol
• CAS No.: 3840-31-1
• Molecular Formula: C10H14O4
• Molecular Weight: 198.219
• Hs Code.: 2909499000
• European Community (EC) Number: 223-331-4
• NSC Number: 53949
• UNII: MDV94PFP33
• DSSTox Substance ID: DTXSID20191742
• Nikkaji Number: J28.532C
• Wikidata: Q72513721
• Mol file: 3840-31-1.mol

Synonyms:3,4,5-Trimethoxybenzyl alcohol;3840-31-1;(3,4,5-Trimethoxyphenyl)methanol;Benzenemethanol, 3,4,5-trimethoxy-;3,4,5-trimethoxybenzylalcohol;3,4,5-Trimethoxybenzylic alcohol;3,4,5-Trimethoxybenzyl-d9 Alcohol;Benzyl alcohol, 3,4,5-trimethoxy-;MDV94PFP33;3,4,5-trimethoxyphenylmethanol;EINECS 223-331-4;MFCD00004639;NSC-53949;AI3-38651;[3,4,5-tris(trideuteriomethoxy)phenyl]methanol;3,4,5-Trimethoxybenzenemethanol;NSC53949;UNII-MDV94PFP33;SCHEMBL1122521;3,4,5-trimethoxy benzyl alcohol;3,4,5-trimethoxy-benzyl alcohol;DTXSID20191742;3,4,5-trimethoxyl benzyl alcohol;(3,4,5-trimethoxyphenyl)-methanol;NSC 53949;(3,4,5-Trimethoxyphenyl)methanol #;AKOS000119492;AC-5985;CS-W021081;3,4,5-Trimethoxybenzyl alcohol, 97%;AS-18786;SY015807;FT-0614167;FT-0675583;T1103;EN300-20134;A824140;W-106486

Chemical Property of 3,4,5-Trimethoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless to light brown viscous liquid
• Vapor Pressure: 1.75E-05mmHg at 25°C
• Melting Point: 3°C
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 349.5 °C at 760 mmHg
• PKA: 13.99±0.10(Predicted)
• Flash Point: 141.7 °C
• PSA: 47.92000
• Density: 1.131 g/cm³
• LogP: 1.20470
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane, Ethanol, Ethyl Acetate
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-Trimethoxybenzyl Alcohol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CO

Technology Process of 3,4,5-Trimethoxybenzyl alcohol

There total 36 articles about 3,4,5-Trimethoxybenzyl alcohol 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: 100.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) → (3,4,5-trimethoxyphenyl)methanol (3840-31-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 4h;

DOI:10.1002/bkcs.10321

Reference yield: 100.0%

trimethyl(3,4,5-trimethoxybenzyloxy)silane (61040-77-5) → (3,4,5-trimethoxyphenyl)methanol (3840-31-1)

Guidance literature:

With water; 1,1,1,3,3,3-hexamethyl-disilazane; In dichloromethane; at 20 ℃; for 0.383333h;

DOI:10.1039/d1ra01185e

Reference yield: 97.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + 2,2-dimethoxyethylamine (22483-09-6) → N-(2,2-dimethoxyethyl)-3,4,5-trimethoxybenzylamine hydrochloride (1099778-02-5) + (3,4,5-trimethoxyphenyl)methanol (3840-31-1)

Guidance literature:

With chloroform; 10% Pd/C; hydrogen; In methanol; at 20 ℃; for 5h; under 760.051 Torr; chemoselective reaction;

DOI:10.1016/j.tet.2008.09.072

upstream raw materials:

ethyl 3,4,5-trimethoxybenzoate

3,4,5-trimethoxybenzoic acid methyl ester

3,4,5-trimethoxybenzamide

3,4,5-trimethoxy-benzaldehyde

Downstream raw materials:

3,4,5-trimethoxytoluene

4-nitro-benzoic acid-(3,4,5-trimethoxy-benzyl ester)

3,5-dinitro-benzoic acid-(3,4,5-trimethoxy-benzyl ester)

3,4,5-trimethoxy-benzaldehyde

Refernces

A Ramberg-Baecklund route to the stilbenoid anti-cancer agents combretastatin A-4 and DMU-212

10.1039/b702411h

The study presents a concise synthetic route to the anti-cancer agents combretastatin A-4 and DMU-212 using the Ramberg–B?cklund reaction. Combretastatin A-4, isolated from the African tree Combretum caffrum, is a potent inhibitor of tubulin polymerization, while DMU-212 is a synthetic analogue with cancer chemoprotective activity. The synthesis of combretastatin A-4 begins with the coupling of thiol 13, prepared from 3,4,5-trimethoxybenzyl alcohol using Lawesson’s reagent, and bromide 14, using potassium hydroxide in ethanol. The resulting sulfide is oxidized with m-chloroperoxybenzoic acid to form sulfone 12. The Ramberg–B?cklund reaction, carried out under various conditions (Meyers, Chan, and Franck), converts sulfone 12 into the stilbene intermediate 15, which is then desilylated to yield combretastatin A-4. The study also explores the synthesis of other combretastatin analogues, including (E)- and (Z)-2012, using similar procedures. The Ramberg–B?cklund reaction is further applied to prepare DMU-212 from sulfone 29, derived from 4-methoxybenzyl mercaptan and bromide 17. The study highlights the efficiency and stereoselectivity of the Ramberg–B?cklund reaction in synthesizing these anti-cancer stilbenes and provides insights into the reaction's scope and limitations.

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