4-Methyl-1-tetralone

Base Information

• Chemical Name: 4-Methyl-1-tetralone
• CAS No.: 19832-98-5
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 29143990
• European Community (EC) Number: 243-355-9
• NSC Number: 65631
• DSSTox Substance ID: DTXSID601315410
• Nikkaji Number: J112.960K
• Mol file: 19832-98-5.mol

Synonyms:4-Methyl-1-tetralone;19832-98-5;4-methyl-3,4-dihydronaphthalen-1(2H)-one;4-methyl-3,4-dihydro-2H-naphthalen-1-one;4-Methyl-.alpha.-tetralone;1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-;MFCD00001691;3,4-Dihydro-4-methyl-1(2H)-naphthalenone;EINECS 243-355-9;1,2,3,4-Tetrahydro-4-methylnaphthalen-1-one;4-Methyl-1,2,3,4-tetrahydronaphthalen-1-one;NSC65631;4-methyltetralin-1-one;4-Methyl-alpha-tetralone;NCIOpen2_000033;4-Methyl-1-tetralone, 97%;SCHEMBL1339938;SCHEMBL13383479;AMY5919;DTXSID601315410;NSC 65631;NSC-65631;AKOS015842658;CS-W004309;AS-17384;SY061805;1(2H)-Naphthalenone,4-dihydro-4-methyl-;4-Methyl-3,4-dihydro-1(2H)-naphthalenone;FT-0618993;4-Methyl-3,4-dihydro-1(2H)-naphthalenone #;EN300-110187;O11261;A813976;3,?4-?dihydro-?4-?methyl-1(2H)?-?Naphthalenone;J-012813;Z1255449974

Chemical Property of 4-Methyl-1-tetralone

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.00515mmHg at 25°C
• Refractive Index: n20/D 1.56(lit.)
• Boiling Point: 275.24 °C at 760 mmHg
• Flash Point: 100.699 °C
• PSA: 17.07000
• Density: 1.049 g/cm³
• LogP: 2.76660
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

98%, ^*data from raw suppliers

4-Methyl-3,4-dihydronaphthalen-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCC(=O)C2=CC=CC=C12
• Uses: 4-Methyl-1-tetralone is an important intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 4-Methyl-1-tetralone

There total 25 articles about 4-Methyl-1-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: 89.0%

benzo[e][1,2,3]oxathiazine 2,2-dioxide (71730-46-6) + 2-methyl-5-oxo-5-phenylpentanoic acid (93273-35-9) → 4-methyl-3,4-dihydro-2H-naphthalen-1-one (19832-98-5) + 4-(2,2-dioxidobenzo[e][1,2,3]oxathiazin-4-yl)-1-phenylpentan-1-one

Guidance literature:

With dipotassium peroxodisulfate; silver nitrate; In water; acetonitrile; at 60 ℃; for 48h; Mechanism;

DOI:10.1016/j.cclet.2021.03.011

Reference yield: 88.0%

5-methyl-dihydro-furan-2-one (108-29-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-methyl-3,4-dihydro-2H-naphthalen-1-one (19832-98-5)

Guidance literature:

With aluminium trichloride; for 4h; Heating;

Reference yield: 83.0%

(5,5-difluoropent-4-en-2-yl)benzene (123455-91-4) → 4-methyl-3,4-dihydro-2H-naphthalen-1-one (19832-98-5)

Guidance literature:

With antimony pentafluoride; fluorosulphonic acid; In various solvent(s); at 0 ℃; for 0.166667h;

DOI:10.1055/s-2004-834910

upstream raw materials:

4-phenyl-1-pentanoic acid

3-methyltetrahydro-2-furanone

benzene

3-benzoyl-5-chloromethyl-dihydro-furan-2-one

Refernces

• 1、 Xia, Ying,Wang, Jianbo,Dong, Guangbin. "Distal-Bond-Selective C?C Activation of Ring-Fused Cyclopentanones: An Efficient Access to Spiroindanones". . p. 2376 - 2380. Retrieved 2017.
• 2、 Zhu, Yuchao,Wen, Xiaojin,Song, Song,Jiao, Ning. "Silver-Catalyzed Radical Transformation of Aliphatic Carboxylic Acids to Oxime Ethers". . p. 6465 - 6472. Retrieved 2016/10/14.