1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl-

Base Information

• Chemical Name: 1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl-
• CAS No.: 71042-75-6
• Molecular Formula: C11H11 Cl O
• Molecular Weight: 194.66
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID9072230
• Nikkaji Number: J446.660H
• Wikidata: Q82000186
• Mol file: 71042-75-6.mol

Synonyms:7-Methyl-4-indancarbonyl chloride;71042-75-6;1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl-;DTXSID9072230;2,3-Dihydro-7-methyl-1H-indene-4-carboxylic acid chloride

Chemical Property of 1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl-

Chemical Property:

• Vapor Pressure: 0.000351mmHg at 25°C
• Boiling Point: 318.9°C at 760 mmHg
• Flash Point: 147.9°C
• PSA: 17.07000
• Density: 1.207g/cm³
• LogP: 2.86270
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.0498427
• Heavy Atom Count: 13
• Complexity: 214

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(=O)Cl

Technology Process of 1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl-

There total 4 articles about 1H-Indene-4-carbonyl chloride, 2,3-dihydro-7-methyl- 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: 97.0%

4-(7-Methylindan)carboxylic acid (71042-74-5) → 4-(Chloromethanoyl)-7-methylindan (71042-75-6)

Guidance literature:

With thionyl chloride; for 1h; Heating;

DOI:10.1021/jo00330a008

Reference yield:

→ 4-(Chloromethanoyl)-7-methylindan (71042-75-6)

Guidance literature:

With thionyl chloride; diethyl ether;

Reference yield:

ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate (71042-72-3) → 4-(Chloromethanoyl)-7-methylindan (71042-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / aq. KOH / ethanol / Heating

2: 97 percent / thionyl chloride / 1 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol;

DOI:10.1021/jo00330a008

upstream raw materials:

4-(7-Methylindan)carboxylic acid

ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate

Downstream raw materials:

(7-methyl-indan-4-yl)-[2]naphthyl ketone

(7-methyl-indan-4-yl)-[1]naphthyl ketone