4,7-Dimethylindan

Base Information

• Chemical Name: 4,7-Dimethylindan
• CAS No.: 6682-71-9
• Molecular Formula: C₁₁H₁₄
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• NSC Number: 81389
• UNII: 21FH91HS6O
• DSSTox Substance ID: DTXSID1064451
• Nikkaji Number: J101.406D
• Wikidata: Q81991557
• Mol file: 6682-71-9.mol

Synonyms:4,7-DIMETHYLINDAN;6682-71-9;4,7-Dimethylindane;4,7-dimethyl-2,3-dihydro-1H-indene;1H-Indene, 2,3-dihydro-4,7-dimethyl-;Indan, 4,7-dimethyl-;2,3-Dihydro-4,7-dimethyl-1H-indene;21FH91HS6O;NSC-81389;NSC81389;Indan,7-dimethyl-;4,7-Dimethylindane #;2,7-dimethyl-1H-indene;UNII-21FH91HS6O;DTXSID1064451;4,7-Dimethyl-(2,3-dihydroindene);CCG-40453;NSC 81389;1H-Indene,3-dihydro-4,7-dimethyl-;AKOS006308251;InChI=1/C11H14/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H

Chemical Property of 4,7-Dimethylindan

Chemical Property:

• Vapor Pressure: 0.122mmHg at 25°C
• Melting Point: -0.52°C
• Refractive Index: 1.5342
• Boiling Point: 226.6°C at 760 mmHg
• Flash Point: 84.6°C
• PSA: 0.00000
• Density: 0.967g/cm³
• LogP: 2.79210
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CCCC2=C(C=C1)C

Technology Process of 4,7-Dimethylindan

There total 13 articles about 4,7-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: 81.4%

zinc amalgam + 4,7-dimethyl-indan-1-one (5037-60-5) + mercury (II) chloride (7487-94-7) → 4,7-dimethylindane (6682-71-9)

Guidance literature:

With hydrogenchloride; acetic acid; zinc; In water;

Reference yield: 71.0%

4,7-dimethyl-indan-1-one (5037-60-5) → 4,7-dimethylindane (6682-71-9)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

Reference yield: 42.0%

1,3a-Dimethyl-2,3,3a,5,6,7-hexahydro-inden-4-one (107972-86-1) → 4,7-dimethylindane (6682-71-9) + 7-Chloro-3,7a-dimethyl-2,4,5,7a-tetrahydro-1H-indene (84355-61-3)

Guidance literature:

With triphenylphosphine; In tetrachloromethane;

DOI:10.1016/S0040-4039(00)88677-3

upstream raw materials:

4,7-dimethyl-indan-1-one

4-Hydroxymethyl-7-methyl-indan

1,3a-Dimethyl-2,3,3a,5,6,7-hexahydro-inden-4-one

(S)-1,3a-Dimethyl-2,3,3a,5,6,7-hexahydro-inden-4-one

Downstream raw materials:

4,8-dimethylazulene

4,8-dimethyl-1,2,3,5,6,7-hexahydrobenzo<1,2:4,5>dicyclopentene

4,8-dimethyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one

4,8-dimethyl-azulene-6-carboxylic acid ethyl ester

Refernces

• 1、 -. "Compounds and compositions". . . Retrieved 2008/06/13.
• 2、 Jung, Michael E.,Hatfield, Gregory L.. "NOVEL OXIDATIVE REARRANGEMENT OF β,γ-UNSATURATED KETONE HYDRAZONES ON IODINATION IN BASE". . p. 3991 - 3994. Retrieved 2007/10/02.