6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one

Base Information

• Chemical Name: 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one
• CAS No.: 98453-60-2
• Molecular Formula: C12H13BrO
• Molecular Weight: 253.139
• European Community (EC) Number: 857-888-5
• Nikkaji Number: J714.180G
• Mol file: 98453-60-2.mol

Synonyms:98453-60-2;6-bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one;6-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one;1(2H)-Naphthalenone, 6-bromo-3,4-dihydro-4,4-dimethyl-;6-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one;MFCD22041940;SCHEMBL3893981;6-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one;HWRLTYBJEKHTJG-UHFFFAOYSA-N;YDA45360;AKOS027338278;AS-69520;SY244616;CS-0061119;FT-0744946;I10575;EN300-1456526;A936510;6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2h) -one;6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one;6-bromo-3,4-dihydro-4,4-dimethyl-naphthalen-1(2H)-one;6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1 (2H) -one;6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1 (2H)-one

Chemical Property of 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one

Chemical Property:

• Melting Point: 48℃
• Boiling Point: 335℃
• Flash Point: 75℃
• PSA: 17.07000
• Density: 1.351
• LogP: 3.70320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.01498
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

99%, ^*data from raw suppliers

6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=O)C2=C1C=C(C=C2)Br)C

Technology Process of 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one

There total 13 articles about 6-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2h)-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: 96.0%

2-bromo-8,8-dimethyl-5,6,7,8-tetrahydronaphthalene (98453-58-8) → 6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one (98453-60-2)

Guidance literature:

With chromium(VI) oxide; acetic anhydride; acetic acid; In benzene; at 0 ℃; for 5h;

DOI:10.1016/j.bmc.2009.05.035

Reference yield: 55.0%

C19H22BrNO → 6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one (98453-60-2)

Guidance literature:

With iron(III)-acetylacetonate; In water; acetonitrile; at 120 ℃; for 12h; Sealed tube;

DOI:10.1002/adsc.201900283

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 6-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one (98453-60-2)

Guidance literature:

Multi-step reaction with 6 steps

1: 44 percent / AlCl₃ / 5 h / 90 °C

2: 70 percent / Zn-Hg, cc. HCl / 185 - 190 °C / 1.5 Torr

3: 100 percent / p-toulenesulphonic acid / benzene / Heating

4: MeMgI / diethyl ether / 24 h / Ambient temperature

5: polyphosphoric caid / 9 h / 50 - 55 °C

6: 70 percent / CrO₃ / acetic acid / 24 h / 0 - 5 °C

With chromium(VI) oxide; hydrogenchloride; methyl magnesium iodide; aluminium trichloride; polyphosphoric caid; toluene-4-sulfonic acid; mercury; zinc; In diethyl ether; acetic acid; benzene;

DOI:10.1016/S0040-4020(01)96390-2

upstream raw materials:

2-bromo-8,8-dimethyl-5,6,7,8-tetrahydronaphthalene

bromobenzene

4-(4-bromophenyl)butanoic acid

4-oxo-4-(4-bromophenyl)butanoic acid

Downstream raw materials:

7-bromo-4-(4-methoxyphenyl)-1,1-dimethyl-1,2-dihydronaphthalene

4-(6-bromo-4,4-dimethyl-3,4-dihydro-1-naphthyl)-phenol

6-bromo-4,4-dimethyl-1,2,3,4-tetrahydro-1-p-tolyl-(1H)-naphthalen-1-ol

6-bromo-4,4-dimethyl-1,2,3,4-tetrahydro-1-(2-phenylethynyl)-(1H)-naphthalen-1-ol