Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-

Base Information

• Chemical Name: Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-
• CAS No.: 22375-06-0
• Molecular Formula: C16H16O4
• Molecular Weight: 272.301
• DSSTox Substance ID: DTXSID60453154
• Wikidata: Q82274196
• Mol file: 22375-06-0.mol

Synonyms:Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-;22375-06-0;SCHEMBL22490923;DTXSID60453154

Chemical Property of Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C(=O)O)OC)OCC2=CC=CC=C2

Technology Process of Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-

There total 11 articles about Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)- 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%

ethyl 4-benzyloxy-2-methoxy-6-methylbenzoate (603042-32-6) → 4-benzyloxy-2-methoxy-6-methylbenzoic acid (22375-06-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; Heating;

DOI:10.1021/ol062233m

Reference yield:

ethyl orselinate (2524-37-0) → 4-benzyloxy-2-methoxy-6-methylbenzoic acid (22375-06-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / K₂CO₃*1.5H₂O / acetone / 24 h / Heating

2: 95 percent / K₂CO₃ / acetone / Heating

3: 100 percent / KOH / ethanol; H₂O / Heating

With potassium hydroxide; potassium carbonate; In ethanol; water; acetone;

DOI:10.1021/ol062233m

Reference yield:

methyl 4-benzyloxy-2-methoxy-6-methylbenzoate (56526-82-0) → 4-benzyloxy-2-methoxy-6-methylbenzoic acid (22375-06-0)

Guidance literature:

With potassium hydroxide; In methanol;

DOI:10.1021/ja00433a053

upstream raw materials:

ethyl 4-benzyloxy-2-methoxy-6-methylbenzoate

methyl 4-benzyloxy-2-methoxy-6-methylbenzoate

ethyl 4-(benzyloxy)-2-hydroxy-6-methylbenzoate

ethyl orselinate

Downstream raw materials:

4-Benzyloxy-2-methoxy-6-methyl-benzoic acid (R)-7-methyl-6,8-dioxo-3-((E)-3-oxo-propenyl)-7,8-dihydro-6H-isochromen-7-yl ester

4-Benzyloxy-2-methoxy-6-methyl-benzoic acid (R)-7-methyl-6,8-dioxo-3-((E)-propenyl)-7,8-dihydro-6H-isochromen-7-yl ester

4-Benzyloxy-2-methoxy-6-methyl-benzoic acid (R)-3-((E)-3-hydroxy-propenyl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl ester

4-benzyloxy-2-methoxy-6-methyl-benzoic acid 3-(2-tert-butoxycarbonyl-vinyl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl ester