6-Methyl-1,2,3,5-tetrahydro-s-indacene

Base Information

• Chemical Name: 6-Methyl-1,2,3,5-tetrahydro-s-indacene
• CAS No.: 202667-45-6
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• Hs Code.: 2902909090
• UNII: 1W0IAN484S
• DSSTox Substance ID: DTXSID50449566
• Wikidata: Q72506131
• Mol file: 202667-45-6.mol

Synonyms:6-methyl-1,2,3,5-tetrahydro-s-indacene;202667-45-6;1,2,3,5-TETRAHYDRO-6-METHYL-S-INDACENE;6-Methylindacene;1W0IAN484S;6-methyl-1,2,3,5-tetrahydros-indacene;s-Indacene, 1,2,3,5-tetrahydro-6-methyl-;UNII-1W0IAN484S;DTXSID50449566;AHMSERHYRMNFKO-UHFFFAOYSA-N;BCP31613;CIA66745;CS-D1259;MFCD06797424;AKOS006286984;AS-64422;D96355;A814369

Chemical Property of 6-Methyl-1,2,3,5-tetrahydro-s-indacene

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 276℃
• Flash Point: 117℃
• PSA: 0.00000
• Density: 1.071
• LogP: 3.13470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 170.109550447
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-1,2,3,5-tetrahydro-s-indacene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C1)C=C3CCCC3=C2

Technology Process of 6-Methyl-1,2,3,5-tetrahydro-s-indacene

There total 4 articles about 6-Methyl-1,2,3,5-tetrahydro-s-indacene 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: 91.6%

5,6-cyclopenta-2-methylindan-1-ol (246876-13-1) → 2-methyl-5,6-dihydrocyclopenta[f]-1H-indene (202667-45-6)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Heating;

DOI:10.1021/ja9833220

Reference yield: 63.3%

2-methyl-3-chloropropionyl chloride (7623-10-1,80141-51-1) + INDANE (496-11-7) → 2-methyl-5,6-dihydrocyclopenta[f]-1H-indene (202667-45-6)

Guidance literature:

2-methyl-3-chloropropionyl chloride; INDANE; With aluminum (III) chloride; In dichloromethane; at -78 ℃; for 24h; Inert atmosphere;

With sulfuric acid; at 85 ℃; Further stages;

Reference yield:

INDANE (496-11-7) → 2-methyl-5,6-dihydrocyclopenta[f]-1H-indene (202667-45-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / AlCl₃ / CH₂Cl₂ / Ambient temperature

2: 98.3 percent / LiAlH₄ / diethyl ether / 2 h / Ambient temperature

3: 91.6 percent / p-toluene sulfonic acid / toluene / Heating

With lithium aluminium tetrahydride; aluminium trichloride; toluene-4-sulfonic acid; In diethyl ether; dichloromethane; toluene;

DOI:10.1021/ja9833220

upstream raw materials:

5,6-cyclopenta-2-methylindan-1-ol

INDANE

2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one

2-methyl-3-chloropropionyl chloride

Refernces

• 1、 Dietrich, Ulf,Hackmann, Martijn,Rieger, Bernhard,Klinga, Martti,Leskelae, Markku. "Control of stereoerror formation with high-activity "dual-side" zirconocene catalysts: A novel strategy to design the properties of thermoplastic elastic polypropenes". . p. 4348 - 4355. Retrieved 2007/10/03.