1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl-

Base Information

• Chemical Name: 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl-
• CAS No.: 5037-63-8
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• NSC Number: 215277
• DSSTox Substance ID: DTXSID10198422
• Nikkaji Number: J110.713E
• Wikidata: Q83071201
• ChEMBL ID: CHEMBL2133651
• Mol file: 5037-63-8.mol

Synonyms:5037-63-8;5,8-dimethyl-1-tetralone;1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl-;5,8-dimethyl-3,4-dihydro-2H-naphthalen-1-one;5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one;5,8-Dimethyltetralone;5,8-dimethyl-3,4-dihydronaphthalen-1(2H)-one;5,8-Dimethyl-3,4-dihydro-1(2H)-naphthalenone;MLS003115098;MFCD00060834;NSC215277;AI3-07018;SCHEMBL1274983;CHEMBL2133651;AMY6020;DTXSID10198422;AKOS004119756;CS-W004319;NSC 215277;NSC-215277;NS-01432;SMR001830681;Dimethyl-3,4-dihydronaphthalen-1(2H)-one;FT-0713119;1(2H)-Naphthalenone,4-dihydro-5,8-dimethyl-;EN300-114238;Y10221;Z1008431140

Chemical Property of 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Melting Point: 33 °C
• Boiling Point: 313.5°Cat760mmHg
• Flash Point: 134.5°C
• PSA: 17.07000
• Density: 1.054g/cm³
• LogP: 2.82240
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

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

5,8-dimethyl-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: CC1=C2CCCC(=O)C2=C(C=C1)C

Technology Process of 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl-

There total 6 articles about 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethyl- 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: 52.0%

4-butanolide (96-48-0) + para-xylene (106-42-3) → 5,8-dimethyltetralone (5037-63-8) + 4-(p-xylyl)butyric acid (1453-06-1)

Guidance literature:

With aluminium trichloride; at 90 ℃; for 6h;

DOI:10.1135/cccc19990533

Reference yield: 39.9%

4-butanolide (96-48-0) + para-xylene (106-42-3) → 3,4,7-Trimethyl-1-indanone (35322-84-0) + 5,8-dimethyltetralone (5037-63-8)

Guidance literature:

In water; at 200 ℃; for 5h; Nitrogen atmosphere;

Reference yield: 33.0%

para-xylene (106-42-3) + 4-Chlorobutanoyl chloride (4635-59-0) → 3,4,7-Trimethyl-1-indanone (35322-84-0) + 5,8-dimethyltetralone (5037-63-8)

Guidance literature:

aluminium trichloride; sulfuric acid; 1.) CS₂, 3 h, 25 deg C; 2.) neat, 1 h, 90 deg C;

upstream raw materials:

4-butanolide

para-xylene

4-Chlorobutanoyl chloride

2',5'-dimethyl-4-chlorobutyrophenone

Downstream raw materials:

5,8-Dimethyl-1-tetralol

5,8-dimethyl-2-(phenylmethyl)-1-naphthol

5,6,8,9-tetrahydro-1,4-dimethyl-7-phenyldibenzoxanthylium trifluoromethanesulphonate

5,8-Dimethyl-1-p-tolyl-1,2,3,4-tetrahydro-naphthalen-1-ol

Refernces

• 1、 Mao, Jianxin,Nakajo, Tetsuo,Okuhara, Toshio. "Alkylation-acylation of aromatics with γ-butyrolactone catalyzed by heteropolyacids supported on silica". . p. 1104 - 1105. Retrieved 2007/10/03.
• 2、 Ikeda,Mori,Sato. "Regioselective cyclic cotrimerization of α,β-enones and alkynes by a nickel-aluminum catalyst system". . p. 4779 - 4780. Retrieved 2007/10/03.