1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate

Base Information

• Chemical Name: 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate
• CAS No.: 40870-61-9
• Molecular Formula: C₁₆H₂₂O₆
• Molecular Weight: 310.347
• DSSTox Substance ID: DTXSID00193845
• Wikidata: Q83066571

Synonyms:1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate;40870-61-9;3,6-Dimethoxy-4,5-dimethyl-1,2-benzenedimethanol diacetate;DTXSID00193845

Chemical Property of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate

Chemical Property:

• Vapor Pressure: 3.17E-06mmHg at 25°C
• Boiling Point: 388°Cat760mmHg
• Flash Point: 167.8°C
• Density: 1.126g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 310.14163842
• Heavy Atom Count: 22
• Complexity: 347

Purity/Quality:

99% ^*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)COC(=O)C)COC(=O)C)OC)C

Technology Process of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate

There total 2 articles about 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate 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:

3,6-dimethoxy-o-xylene (39021-83-5) → Acetic acid 2-acetoxymethyl-3,6-dimethoxy-4,5-dimethyl-benzyl ester (40870-61-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl

2: AcOH

With hydrogenchloride; acetic acid;

DOI:10.1021/jm00282a011

Reference yield:

1,2-Bis-chloromethyl-3,6-dimethoxy-4,5-dimethyl-benzene (40870-60-8) + sodium acetate (127-09-3) → Acetic acid 2-acetoxymethyl-3,6-dimethoxy-4,5-dimethyl-benzyl ester (40870-61-9)

Guidance literature:

With acetic acid;

DOI:10.1021/jm00282a011

Reference yield:

Acetic acid 2-acetoxymethyl-3,6-dimethoxy-4,5-dimethyl-benzyl ester (40870-61-9) → (2-Hydroxymethyl-3,6-dimethoxy-4,5-dimethyl-phenyl)-methanol (40870-63-1)

Guidance literature:

With potassium hydroxide; ethanol;

DOI:10.1021/jm00282a011

upstream raw materials:

1,2-Bis-chloromethyl-3,6-dimethoxy-4,5-dimethyl-benzene

sodium acetate

3,6-dimethoxy-o-xylene

Downstream raw materials:

(2-Hydroxymethyl-3,6-dimethoxy-4,5-dimethyl-phenyl)-methanol

2,3-Dimethyl-5,6-bis(acetoxymethyl)-1,4-benzochinon

C₂₄H₂₀O₈

C₂₆H₂₆O₈

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