3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic acid

Base Information

• Chemical Name: 3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic acid
• CAS No.: 69791-82-8
• Molecular Formula: C14H16 O5
• Molecular Weight: 264.278
• European Community (EC) Number: 274-119-3
• DSSTox Substance ID: DTXSID50990043
• Nikkaji Number: J236.507C
• Wikidata: Q82979384
• Mol file: 69791-82-8.mol

Synonyms:3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic acid;69791-82-8;EINECS 274-119-3;SCHEMBL7814302;5,6,7-trimethoxy-3,4-dihydronaphthalene-2-carboxylic acid;DTXSID50990043;AKOS024325764;5,6,7-Trimethoxy-3,4-dihydro-2-naphthoic acid;2-Naphthalenecarboxylic acid, 3,4-dihydro-5,6,7-trimethoxy-;5,6,7-Trimethoxy-3,4-dihydro-2-naphthalenecarboxylic acid #;5,6,7-TRIMETHOXY-3,4-DIHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID

Chemical Property of 3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 9.77E-08mmHg at 25°C
• Boiling Point: 418°C at 760 mmHg
• PKA: 4.68±0.20(Predicted)
• Flash Point: 156.5°C
• PSA: 64.99000
• Density: 1.247g/cm³
• LogP: 2.12660
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 264.09977361
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2CCC(=CC2=C1)C(=O)O)OC)OC

Technology Process of 3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic acid

There total 1 articles about 3,4-Dihydro-5,6,7-trimethoxy-2-naphthoic 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:

→ 3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid (69791-82-8)

Guidance literature:

Dihydronaphthalinester, NaOH;

Reference yield: 72.0%

3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid (69791-82-8) + 4-(3,4,5-trimethoxyphenylmethyl)piperazine (52146-35-7) → [4-(3,4,5-Trimethoxy-benzyl)-piperazin-1-yl]-(5,6,7-trimethoxy-3,4-dihydro-naphthalen-2-yl)-methanone

Guidance literature:

With diethyl cyanophosphonate; In N,N-dimethyl-formamide; for 0.5h;

DOI:10.1248/cpb.42.541

Reference yield:

3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid (69791-82-8) → 5,6,7-trimethoxynaphthalene-2-carboxylic acid (69791-81-7)

Guidance literature:

With hydrogen sulfide; In ethanol;

Downstream raw materials:

1-(2,3,4-trimethoxybenzyl)-4-(6,7,8-trimethoxy-1,2-dihydro-3-naphthoyl)piperazine hydrochloride

5,6,7-trimethoxynaphthalene-2-carboxylic acid

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