5-(tert-Butyl)-1,1-dimethylindan

Base Information

• Chemical Name: 5-(tert-Butyl)-1,1-dimethylindan
• CAS No.: 38393-97-4
• Molecular Formula: C15H22
• Molecular Weight: 202.34
• Hs Code.: 2902909090
• European Community (EC) Number: 253-910-7
• DSSTox Substance ID: DTXSID30191738
• Nikkaji Number: J99.712I
• Wikidata: Q83064321
• Mol file: 38393-97-4.mol

Synonyms:5-(tert-Butyl)-1,1-dimethylindan;38393-97-4;EINECS 253-910-7;1H-Indene, 5-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-;DTXSID30191738;5-tert-Butyl-1,1-dimethylindane;5-tert-Butyl-1,1-dimethylindane #;Indan, 5-tert-butyl-1,1-dimethyl-;2,3-dihydro-1,1-dimethyl -5-(1,1-dimethylethyl)-1h-indene

Chemical Property of 5-(tert-Butyl)-1,1-dimethylindan

Chemical Property:

• Vapor Pressure: 0.0274mmHg at 25°C
• Boiling Point: 254.6°Cat760mmHg
• Flash Point: 102.9°C
• PSA: 0.00000
• Density: 0.904g/cm³
• LogP: 4.20790
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 202.172150702
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(tert-Butyl)-1,1-dimethylindan

There total 12 articles about 5-(tert-Butyl)-1,1-dimethylindan 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: 86.0%

7-(2,5-di-tert-butylphenyl)cyclohepta-1,3,5-triene → 5-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-indene (38393-97-4)

Guidance literature:

With 1,3‐bis[2,6‐bis(propan‐2‐yl)phenyl]‐2‐[(phenylformonitrile)aurio]‐2,3‐dihydro‐1H‐imidazol‐2‐yl hexafluorostibane; In 1,2-dichloro-ethane; at 100 ℃; for 7h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201900919

Reference yield: 68.0%

1,4-di-tert-butyl-2-iodobenzene (5182-66-1) + 1,1-dibromomethane (74-95-3) → 5-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-indene (38393-97-4)

Guidance literature:

With tetrabutylammomium bromide; palladium diacetate; potassium carbonate; triethylamine; tris-(o-tolyl)phosphine; In N,N-dimethyl acetamide; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201706418

Reference yield:

2-di-tert-butylphosphinobiphenyl chloro(1,4-di-tert-butyl-2-benzylmethyl) (methyl)gold(I) → 5-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-indene (38393-97-4)

Guidance literature:

With gallium(III) trichloride; In dichloromethane-d2; at -90 ℃; Inert atmosphere; Glovebox;

DOI:10.1002/chem.201900919

upstream raw materials:

tertiary butyl chloride

1,1-dimethylindan

6-tert-butyl-3,3-dimethyl-1-indanone

tert-butyl alcohol

Downstream raw materials:

4-ethyl-6-tert-butyl-1,1-dimethyl-indan

9,10-dicyanoanthracene radical anion

Celestolide

Refernces

• 1、 Wu, Zhuo,Ma, Ding,Zhou, Bo,Ji, Xiaoming,Ma, Xiaotian,Wang, Xiaoling,Zhang, Yanghui. "Palladium-Catalyzed Alkylation with Alkyl Halides by C(sp3)?H Activation". supporting information. p. 12288 - 12291. Retrieved 2017/09/06.