1H-Indene, 6-bromo-2,3-dihydro-1,1-dimethyl-

Base Information

• Chemical Name: 1H-Indene, 6-bromo-2,3-dihydro-1,1-dimethyl-
• CAS No.: 67159-88-0
• Molecular Formula: C11H13Br
• Molecular Weight: 225.12500
• DSSTox Substance ID: DTXSID70498415
• Wikidata: Q82348438
• Mol file: 67159-88-0.mol

Synonyms:67159-88-0;6-Bromo-1,1-dimethylindane;1H-Indene, 6-bromo-2,3-dihydro-1,1-dimethyl-;6-bromo-1,1-dimethyl-2,3-dihydro-1H-indene;5-bromo-3,3-dimethyl-1,2-dihydroindene;MFCD26403409;6-bromo-1,1-dimethylindan;6-bromo-1,1-dimethyl-indan;SCHEMBL1706762;DTXSID70498415;XTSAEIQNMRIQAS-UHFFFAOYSA-N;AC2121;AKOS023786766;CS-12309;SY046164;FT-0750070;A915811

Chemical Property of 1H-Indene, 6-bromo-2,3-dihydro-1,1-dimethyl-

Chemical Property:

• PSA: 0.00000
• LogP: 3.67290
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 224.02006
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

1H-Indene,6-bromo-2,3-dihydro-1,1-dimethyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C1C=C(C=C2)Br)C

Technology Process of 1H-Indene, 6-bromo-2,3-dihydro-1,1-dimethyl-

There total 5 articles about 1H-Indene, 6-bromo-2,3-dihydro-1,1-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: 99.0%

6-bromoindan-1-one (14548-39-1) + dimethyl zinc(II) (544-97-8) → 6-bromo-2,3-dihydro-1,1-dimethyl-1H-indene (67159-88-0)

Guidance literature:

dimethyl zinc(II); With titanium tetrachloride; In dichloromethane; toluene; at -30 - 20 ℃; for 0.5h; Inert atmosphere;

6-bromoindan-1-one; In dichloromethane; toluene; at -10 ℃; for 4h;

Reference yield: 94.0%

6-bromoindan-1-one (14548-39-1) → 6-bromo-2,3-dihydro-1,1-dimethyl-1H-indene (67159-88-0)

Guidance literature:

With dimethyl zinc(II); titanium tetrachloride; In dichloromethane; toluene; at -40 ℃; for 0.333333h;

6-bromoindan-1-one; In dichloromethane; toluene; at -40 - 20 ℃; for 18h;

Reference yield: 73.0%

1-(4-bromophenyl)-3-methyl-2-butanol (84648-11-3) → 6-bromo-2,3-dihydro-1,1-dimethyl-1H-indene (67159-88-0)

Guidance literature:

With sulfuric acid; at 50 ℃; for 0.166667h;

DOI:10.1021/ja00345a001

upstream raw materials:

1-(4-bromophenyl)-3-methyl-2-butanol

1-bromomethyl-4-bromobenzene

6-bromoindan-1-one

dimethyl zinc(II)

Downstream raw materials:

1-(1,1-dimethyl-6-indanyl)-4-phenyl-2-butyne-1,4-dione

1-(1,1-dimethyl-6-indanyl)-4-phenyl-2-butyne-1,4-diol

3-benzoyl-2,5-diphenyl-4-(1,1-dimethyl-6-indanoyl)thiophene

1-(1,1-dimethyl-6-indanyl)-3,4,6-triphenylthieno<3,4-c>thiophene

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