Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl-

Base Information

• Chemical Name: Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl-
• CAS No.: 127430-84-6
• Molecular Formula: C12H17ClO4
• Molecular Weight: 260.718
• DSSTox Substance ID: DTXSID50455147
• Nikkaji Number: J1.233.850C
• Wikidata: Q82277035
• Mol file: 127430-84-6.mol

Synonyms:127430-84-6;Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl-;1-chloromethyl-2,3,4,5-tetramethoxy-6-methylbenzene;SCHEMBL5086099;DTXSID50455147;1-(Chloromethyl)-2-methyl-3,4,5,6-tetramethoxybenzene

Chemical Property of Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.0815367
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)OC)OC)OC)CCl

Technology Process of Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl-

There total 6 articles about Benzene, 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methyl- 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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,3,4,5-tetramethoxytoluene (35896-58-3) → 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methylbenzene (127430-84-6)

Guidance literature:

With hydrogenchloride; at 40 ℃; for 2h;

DOI:10.1039/d0cc04970k

Reference yield:

2,3-dimethoxy-5-methylbenzene-1,4-diol (3066-90-8) → 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methylbenzene (127430-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / methanol

2: HCl

With hydrogenchloride; sodium hydroxide; In methanol;

DOI:10.1016/j.bmcl.2004.12.029

Reference yield:

2,3-Dimethoxy-5-methyl-1,4-benzoquinone (605-94-7) → 1-(chloromethyl)-2,3,4,5-tetramethoxy-6-methylbenzene (127430-84-6)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C / methanol / 1551.44 - 2327.17 Torr

2: NaOH / methanol

3: HCl

With hydrogenchloride; sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/j.bmcl.2004.12.029

upstream raw materials:

formaldehyd

2,3,4,5-tetramethoxytoluene

2,3-Dimethoxy-5-methyl-1,4-benzoquinone

2,3-dimethoxy-5-methylbenzene-1,4-diol

Downstream raw materials:

2-chloromethyl-5,6-dimethoxy-3-methyl-[1,4]benzoquinone

1,2,3,4-tetramethoxy-5-(methoxymethyl)-6-methylbenzene

2-(2,3,4,5-tetramethoxy-6-methylbenzyloxy)ethanol

2-(ethoxymethyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione