2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid

Base Information

Chemical Name:2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid
CAS No.:73177-38-5
Molecular Formula:C₁₇H₂₀O₅
Molecular Weight:304.343
Hs Code.:
DSSTox Substance ID:DTXSID801138383

Synonyms:DTXSID801138383;2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid;73177-38-5

Suppliers and Price of 2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid

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Chemical Property of 2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:304.13107373
Heavy Atom Count:22
Complexity:468

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(C(=CC1)OC)(CC2=CC(=CC=C2)OC)C(=O)O

Technology Process of 2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid

There total 2 articles about 2,5-Dimethoxy-1-[(3-methoxyphenyl)methyl]-2,5-cyclohexadiene-1-carboxylic acid 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: 75.0%

: 80900-48-7
C₉H₁₀O₄^(2-)*2Li⁽¹⁺⁾

: 874-98-6
1-bromomethyl-3-methoxybenzene

: 73177-38-5
2,5-Dimethoxy-1-(3-methoxy-benzyl)-cyclohexa-2,5-dienecarboxylic acid

Guidance literature:: In ammonia;
DOI:10.1021/jo01297a054

Reference yield:

: 2785-98-0
2,5-dimethoxybenzoic acid

: 874-98-6
1-bromomethyl-3-methoxybenzene

: 73177-38-5
2,5-Dimethoxy-1-(3-methoxy-benzyl)-cyclohexa-2,5-dienecarboxylic acid

Guidance literature:: DOI:10.1021/ja029725o

Reference yield:

: 73177-38-5
2,5-Dimethoxy-1-(3-methoxy-benzyl)-cyclohexa-2,5-dienecarboxylic acid

: (5S,8R)-2-Methoxy-5-methoxymethoxy-6-phenylselanyl-6,7,8,9-tetrahydro-5H-5,8-methano-benzocycloheptene-7-carbonitrile

Guidance literature:: Multi-step reaction with 8 steps

1: 80 percent / H₂SO₄ / acetone; H₂O / 2 h / 0 °C

2: 89 percent / acetic acid / H₂O / 16 h / Heating

3: 97 percent / DMAP; i-Pr₂NEt / CH₂Cl₂ / 16 h / 20 °C

4: sodium hydride / tetrahydrofuran / 17 h / 0 - 20 °C

5: 4-nitrobenzenesulfonylazide; triethylamine / acetonitrile / 2 h / 20 °C

6: 68 percent / hexamethyldisilazane / tetrahydrofuran / Irradiation

7: trichloroacetylchloride; triethylamine / CH₂Cl₂ / 0.08 h / 0 °C

8: LDA; potassiun tert-butoxide / tetrahydrofuran / 1.5 h

With dmap; p-nitrobenzenesulfonyl azide; sulfuric acid; potassium tert-butylate; sodium hydride; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; 1,1,1,3,3,3-hexamethyl-disilazane; trifluoroacetyl chloride; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; water; acetone; acetonitrile;
DOI:10.1021/ja029725o