1-(Chloromethyl)-2,3,4-trimethoxybenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-2,3,4-trimethoxybenzene
• CAS No.: 1133-49-9
• Molecular Formula: C10H13ClO3
• Molecular Weight: 216.664
• NSC Number: 127395
• DSSTox Substance ID: DTXSID40150351
• Nikkaji Number: J32.103F
• Wikidata: Q83016410
• Mol file: 1133-49-9.mol

Synonyms:1133-49-9;1-(chloromethyl)-2,3,4-trimethoxybenzene;2,3,4-trimethoxybenzyl chloride;Toluene, alpha-chloro-2,3,4-trimethoxy-;Benzene,1-(chloromethyl)-2,3,4-trimethoxy-;1-Chloromethyl-2,3,4-trimethoxybenzene;NSC127395;alpha-Chloro-2,3,4-trimethoxytoluene;SCHEMBL3891419;DTXSID40150351;HEAQHTKDZPKODU-UHFFFAOYSA-N;BAA13349;AKOS000262077;NSC 127395;NSC-127395;AS-65663;D96010;EN300-1967235

Chemical Property of 1-(Chloromethyl)-2,3,4-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00517mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 284.2 °C at 760 mmHg
• Flash Point: 104.6 °C
• PSA: 27.69000
• Density: 1.145 g/cm³
• LogP: 2.45120
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.0553220
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

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

1-(chloromethyl)-2,3,4-trimethoxybenzene 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CCl)OC)OC
• Uses: 2,3,4-Trimethoxybenzyl chloride is an intermediate for the synthesis of N-Formyl Trimetazidine (F701400), an impurity of Trimetazidine (T795610).

Technology Process of 1-(Chloromethyl)-2,3,4-trimethoxybenzene

There total 3 articles about 1-(Chloromethyl)-2,3,4-trimethoxybenzene 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: 95.0%

2,3,4-trimethoxybenzylalcohol (71989-96-3) → 2,3,4-trimethoxybenzyl chloride (1133-49-9)

Guidance literature:

With pyridine; thionyl chloride; In dichloromethane; for 0.5h;

DOI:10.1039/P19910003033

Reference yield:

diisopropylaminomethylpolystyrene + 2,3,4-trimethoxybenzylalcohol (71989-96-3) → 2,3,4-trimethoxybenzyl chloride (1133-49-9)

Guidance literature:

With thionyl chloride;

Reference yield:

→ 2,3,4-trimethoxybenzyl chloride (1133-49-9)

Guidance literature:

Trimethoxybenzol, Paraformaldehyd/HCl;

upstream raw materials:

2,3,4-trimethoxybenzylalcohol

Downstream raw materials:

N.N'-Dimethyl-N-<2.3.4-trimethoxy-benzyl>-aethylendiamin

N.N'-Dimethyl-N.N'-bis-<2.3.4-trimethoxy-benzyl>-aethylendiamin

1-(2,3,4-trimethoxybenzyl)piperazine

9-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]-1,2,3,4-tetrahydroacridine

Refernces

• 1、 -. "ANTIVIRAL ETHERS OF ASPARTATE PROTEASE SUBSTRATE ISOSTERES". . . Retrieved 2008/06/13.
• 2、 Capraro, Hans-Georg,Bold, Guido,Faessler, Alexander,Cozens, Robert,Klimkait, Thomas,Lazdins, Janis,Mestan, Juergen,Poncioni, Bernard,Roesel, Johannes L.,Stover, David,Lang, Marc. "Synthesis of potent and orally active HIV-protease inhibitors". . p. 273 - 278. Retrieved 2007/10/03.