7-Methoxy-1-methyl-2-tetralone

Base Information

• Chemical Name: 7-Methoxy-1-methyl-2-tetralone
• CAS No.: 1204-23-5
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 2914500090
• DSSTox Substance ID: DTXSID601305388
• Nikkaji Number: J1.930.440J
• Mol file: 1204-23-5.mol

Synonyms:7-Methoxy-1-methyl-2-tetralone;1204-23-5;7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one;7-methoxy-1-methyl-3,4-dihydronaphthalen-2(1H)-one;1-methyl-7-methoxy-2-tetralone;MFCD00797848;3,4-dihydro-7-methoxy-1-methyl-2(1H)-naphthalenone;SCHEMBL5512979;DYIWPPSNJSVFED-UHFFFAOYSA-N;1-methyl- 7-methoxy-2-tetralone;DTXSID601305388;7-methoxy-1-methyl-tetralin-2-one;AMY39041;BAA20423;AKOS006271706;CS-W000443;AS-32497;SY018567;7-methoxy-1-methyl-3,4-dihydro-2(1H)-naphthalenone;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-one;1-Methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-one

Chemical Property of 7-Methoxy-1-methyl-2-tetralone

Chemical Property:

• Boiling Point: 125-126 °C(Press: 0.8 Torr)
• PSA: 26.30000
• Density: 1.076±0.06 g/cm3(Predicted)
• LogP: 2.31400
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Methoxy-1-methyl-2-tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)CCC2=C1C=C(C=C2)OC
• Uses: 7-Methoxy-1-methyl-2-tetralone is a reagent that is used in the synthesis of dezocine (D299800), which is an opioid analgesic that is related to Pentazocine (P274300).

Technology Process of 7-Methoxy-1-methyl-2-tetralone

There total 13 articles about 7-Methoxy-1-methyl-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: 85.0%

7-methoxyl-2-tetralone (4133-34-0) + methyl iodide (74-88-4) → 1-methyl-7-methoxy-2-tetralone (1204-23-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 4.33h;

Reference yield: 84.0%

→ 1-methyl-7-methoxy-2-tetralone (1204-23-5)

Guidance literature:

Reference yield: 77.0%

5-(4-methoxy-phenyl)-pent-1-yn-3-ol → 1-methyl-7-methoxy-2-tetralone (1204-23-5)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 80 ℃; for 1h; Inert atmosphere; Green chemistry;

DOI:10.1016/j.tetlet.2014.12.129

upstream raw materials:

6-methoxy-4-methyl-1,2-dihydronaphthalene

1,2-Dihydroxy-7-methoxy-1-methyl-tetralin

7-Methoxy-1-tetralone

4-(4-Methoxyphenyl)butyric acid

Downstream raw materials:

(-)-Metazocine

pentazocin

1-(2-Benzylmethylaminoethyl)-7-methoxy-1-methyl-3,4-dihydro-2(1H)naphthalenone hydrogen oxalate

eptazocine hydrobromide

Refernces

• 1、 -. "PHARMACEUTICALLY ACCEPTABLE SALTS OF BENZODICYCLOALKANE DERIVATIVE, POLYMORPHIC SUBSTANCE THEREOF, AND APPLICATION THEREOF". Paragraph 0211; 0215; 0228. . Retrieved 2021/04/02.
• 2、 -. "DEZOCINE ANALOGUE". Paragraph 0086; 0089; 0090. . Retrieved 2018/11/27.