7-Methoxy-2-tetralone

Base Information

• Chemical Name: 7-Methoxy-2-tetralone
• CAS No.: 4133-34-0
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 29145090
• European Community (EC) Number: 223-954-1
• UNII: WF978B639S
• DSSTox Substance ID: DTXSID00194296
• Nikkaji Number: J80.759A
• Wikidata: Q72486140
• Mol file: 4133-34-0.mol

Synonyms:7-methoxy-2-tetralone

Chemical Property of 7-Methoxy-2-tetralone

Chemical Property:

• Appearance/Colour: Clear yellow to orange liquid after melting
• Vapor Pressure: 0.000754mmHg at 25°C
• Melting Point: 27 - 28oC
• Refractive Index: 1.5595 - 1.565
• Boiling Point: 306.8 °C at 760 mmHg
• Flash Point: 150.8 °C
• PSA: 26.30000
• Density: 1.124 g/cm³
• LogP: 1.75300
• Storage Temp.: 0-6°C
• Water Solubility.: 1.151g/L at 25℃
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

7-Methoxy-2-tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC2=C(CCC(=O)C2)C=C1
• Uses: 7-Methoxy-2-tetralone was used in the synthesis of 2-bromo-3,4-dihydro-7-methoxy-1-naphthaldehyde and 2-substituted octahydrobenzo[f]quinolines.

Technology Process of 7-Methoxy-2-tetralone

There total 22 articles about 7-Methoxy-2-tetralone 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%

1-(but-3-yn-1-yl)-4-methoxybenzene (73780-78-6) → 7-methoxyl-2-tetralone (4133-34-0)

Guidance literature:

With 2,6-dichloropyridine N-oxide; C₃₃H₅₄AuClP; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In 1,2-dichloro-ethane; at 50 ℃; for 6h;

DOI:10.1021/acs.joc.7b01244

Reference yield: 98.0%

(1S,2R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalene-1,2-diol (75804-69-2) → 7-methoxyl-2-tetralone (4133-34-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 0.25h; Heating;

DOI:10.1055/s-1980-29141

Reference yield: 92.0%

7-methoxy-3,4-dihydronaphthalen-2(1H)-one sodium hydrogencarbonate (1048330-08-0) → 7-methoxyl-2-tetralone (4133-34-0)

Guidance literature:

With hydrogenchloride; In water; toluene; at 20 ℃; for 3h;

DOI:10.1021/jm800222k

upstream raw materials:

2,7-Dimethoxynaphthalene

1,4-dihydro-2,7-dimethoxynaphthalene

6-Methoxy-3,8a-dihydroazulen-1(2H)-one

(1S,2R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalene-1,2-diol

Downstream raw materials:

7-methoxy-3,4-dihydro-1H-naphthalen-2-one-(2,4-dinitro-phenylhydrazone)

(7-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine

N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

[7-(4-Cyano-benzyloxy)-naphthalen-2-yl]-acetic acid ethyl ester

Refernces

• 1、 Diamond,Soffer. "-". . p. 4126. Retrieved 1952.
• 2、 Ling, Hui-Bo,Chen, Zi-Sheng,Yang, Fang,Xu, Bin,Gao, Jin-Ming,Ji, Kegong. "Gold-Catalyzed Oxidation Terminal Alkyne: An Approach to Synthesize Substituted Dihydronaphthalen-2(1H)-ones and Phenanthrenols". . p. 7070 - 7076. Retrieved 2017/07/15.