2-(6-methoxynaphthalen-1-yl)acetic Acid

Base Information

• Chemical Name: 2-(6-methoxynaphthalen-1-yl)acetic Acid
• CAS No.: 87901-81-3
• Molecular Formula: C13H12O3
• Molecular Weight: 216.23
• Hs Code.: 2918990090
• European Community (EC) Number: 618-085-3
• DSSTox Substance ID: DTXSID401297595
• Nikkaji Number: J648.736J
• Metabolomics Workbench ID: 71696
• Mol file: 87901-81-3.mol

Synonyms:2-(6-methoxynaphthalen-1-yl)acetic Acid;87901-81-3;6-methoxy-naphthylacetic acid;SCHEMBL7925457;DTXSID401297595;6-Methoxy-1-naphthaleneacetic acid;6-Methoxynaphthalene-1-acetic acid;2-(6-methoxy-1-naphthyl)acetic acid;6-METHOXY-2-NAPHTHYLACETICACID;2-(6-methoxynaphthalen-1-yl)aceticAcid;CS-0356312;(6-methoxy-1-naphthyl)acetic acid, AldrichCPR

Chemical Property of 2-(6-methoxynaphthalen-1-yl)acetic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 408.84°C at 760 mmHg
• Flash Point: 160.68°C
• PSA: 46.53000
• Density: 1.236g/cm³
• LogP: 2.47550
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99.3% ^*data from raw suppliers

(6-Methoxy-1-naphthyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=CC=C2)CC(=O)O

Technology Process of 2-(6-methoxynaphthalen-1-yl)acetic Acid

There total 6 articles about 2-(6-methoxynaphthalen-1-yl)acetic 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:

(6-Methoxy-naphthalen-1-yl)-acetic acid methyl ester → ethyl 6-methoxy-1-naphthaleneacetic acid (87901-81-3)

Guidance literature:

With potassium hydroxide; In methanol; for 2h; Heating;

Reference yield:

(1-Hydroxy-6-methoxy-1,2-dihydro-naphthalen-1-yl)-acetic acid methyl ester → ethyl 6-methoxy-1-naphthaleneacetic acid (87901-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) iodine, 2.) sulfur / 1.) 205 deg C, 30 min. 2.) from 205 deg C to 235 deg C, 2 h

2: KOH / methanol / 2 h / Heating

With potassium hydroxide; iodine; sulfur; In methanol;

Reference yield:

6-methoxy-3,4-dihydro-1(2H)-naphthalenone (1078-19-9) → ethyl 6-methoxy-1-naphthaleneacetic acid (87901-81-3)

Guidance literature:

Multi-step reaction with 3 steps

1: Zn / benzene / 1.25 h / Heating

2: 1.) iodine, 2.) sulfur / 1.) 205 deg C, 30 min. 2.) from 205 deg C to 235 deg C, 2 h

3: KOH / methanol / 2 h / Heating

With potassium hydroxide; iodine; sulfur; zinc; In methanol; benzene;

upstream raw materials:

2-(6-methoxy-3,4-dihydro-naphthalen-1-yl)-acetic acid ethyl ester

ethyl bromoacetate

6-methoxy-3,4-dihydro-1(2H)-naphthalenone

Downstream raw materials:

(E)-2-(6-Methoxy-naphthalen-1-yl)-3-phenyl-acrylic acid methyl ester

(E)-2-(6-Methoxy-naphthalen-1-yl)-3-phenyl-acrylic acid

(6-hydroxy-[1]naphthyl)-acetic acid

Refernces

• 1、 Ciganek, Engelbert,Wuonola, Mark A.,Harlow, Richard L.. "Intramolecular Diels-Alder Reactions. 4. Additions to Naphthalene". . p. 1251 - 1258. Retrieved 2007/10/02.