7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

Base Information

• Chemical Name: 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
• CAS No.: 35338-72-8
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID40524437
• Nikkaji Number: J1.429.290J
• Mol file: 35338-72-8.mol

Synonyms:35338-72-8;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-one;7-Isopropyl-3,4-dihydronaphthalen-1(2H)-one;SCHEMBL1401942;DTXSID40524437;AM9303;AKOS012023698;CS-0308439;EN300-120168;N12910;7-isopropyl-1,2,3,4-tetrahydronaphthalen-1-one;7-(Propan-2-yl)-3,4-dihydronaphthalen-1(2H)-one;Z1008431044

Chemical Property of 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.32900
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99%, ^*data from raw suppliers

7-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(CCCC2=O)C=C1

Technology Process of 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

There total 19 articles about 7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one 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: 95.0%

C13H17NO (1020194-83-5) → 7-isopropyl-3,4-dihydro-2H-naphthalen-1-one (35338-72-8)

Guidance literature:

With water; dihydrogen peroxide; iodine; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1080/00397910902883678

Reference yield:

4-(4-isopropylphenyl)butanoic acid (7501-37-3) → 7-isopropyl-3,4-dihydro-2H-naphthalen-1-one (35338-72-8)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01186a065

Reference yield:

4-(4-isopropylphenyl)butanoic acid (7501-37-3) + 7-cyclohexyl-3,4-dihydro-1(2H)-naphthalenone (64959-04-2) → 7-isopropyl-3,4-dihydro-2H-naphthalen-1-one (35338-72-8)

Guidance literature:

upstream raw materials:

4-(4-isopropyl-phenyl)-butyryl chloride

(4-isopropyl-phenethyl)-malonic acid diethyl ester

4-(4-isopropylphenyl)butanoic acid

7-isopropyl tetrahydronaphthalene-1-ol

Downstream raw materials:

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

2-Isopropylnaphthalene

1-Methyl-7-isopropyl-1,2,3,4-tetrahydronaphthalin-1-ol