Aftdjuwyiveejj-uhfffaoysa-

Base Information

• Chemical Name: Aftdjuwyiveejj-uhfffaoysa-
• CAS No.: 83375-20-6
• Molecular Formula: C₁₂H₁₄O₆
• Molecular Weight: 254.24
• DSSTox Substance ID: DTXSID701037457
• Mol file: 83375-20-6.mol

Synonyms:83375-20-6;SCHEMBL347816;AFTDJUWYIVEEJJ-UHFFFAOYSA-;DTXSID701037457;2,4-dimethoxy-6-(2-methoxy-2-oxoethyl)benzoic acid;InChI=1/C12H14O6/c1-16-8-4-7(5-10(13)18-3)11(12(14)15)9(6-8)17-2/h4,6H,5H2,1-3H3,(H,14,15)

Chemical Property of Aftdjuwyiveejj-uhfffaoysa-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 254.07903816
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)O)CC(=O)OC

Technology Process of Aftdjuwyiveejj-uhfffaoysa-

There total 9 articles about Aftdjuwyiveejj-uhfffaoysa- 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%

(2-formyl-3,5-dimethoxy-phenyl)-acetic acid methyl ester (602278-05-7) → 2,4-dimethoxy-6-(methoxycarbonylmethyl)benzoic acid (83375-20-6)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile; at 0 - 20 ℃; for 4h;

Reference yield: 95.0%

methanol (67-56-1) + 2-carboxymethyl-4,6-dimethoxy-benzoic acid (4778-99-8) → 2,4-dimethoxy-6-(methoxycarbonylmethyl)benzoic acid (83375-20-6)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 2h; Heating;

DOI:10.1002/ejoc.200300451

Reference yield:

methyl 2,4-dimethoxy-6-(methoxycarbonylmethyl)benzoate (6512-26-1) → 2,4-dimethoxy-6-(methoxycarbonylmethyl)benzoic acid (83375-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / KOH / ethanol; H₂O / 8 h / Heating

2: 95 percent / p-TsOH / CH₂Cl₂ / 2 h / Heating

With potassium hydroxide; toluene-4-sulfonic acid; In ethanol; dichloromethane; water;

DOI:10.1002/ejoc.200300451

upstream raw materials:

methanol

2-carboxymethyl-4,6-dimethoxy-benzoic acid

2,4-dimethoxy-6-methylbenzoic acid

carbonic acid dimethyl ester

Downstream raw materials:

2-carboxymethyl-4,6-dimethoxy-benzoic acid

3-[3,5-dimethyl-4-(2-morpholin-4-yl-ethoxy)-phenyl]-6,8-dimethoxy-isochromen-1-one

3-[4-(2-chloro-ethoxy)-3,5-dimethyl-phenyl]-6,8-dimethoxy-isochromen-1-one

acetic acid 4-(6,8-dimethoxy-1-oxo-1H-isochromen-3-yl)-2,6-dimethyl-phenyl ester