1H-Inden-1-one, 2-methyl-

Base Information

• Chemical Name: 1H-Inden-1-one, 2-methyl-
• CAS No.: 5728-95-0
• Molecular Formula: C10H8O
• Molecular Weight: 144.173
• DSSTox Substance ID: DTXSID80462900
• Nikkaji Number: J657.307J
• Wikidata: Q82287526
• Mol file: 5728-95-0.mol

Synonyms:1H-Inden-1-one, 2-methyl-;5728-95-0;2-methyl-inden-1-one;2-methylind-2-en-1-one;SCHEMBL678100;DTXSID80462900;QYVIDQDORQTCBS-UHFFFAOYSA-N

Chemical Property of 1H-Inden-1-one, 2-methyl-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.057514874
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C1=O

Technology Process of 1H-Inden-1-one, 2-methyl-

There total 5 articles about 1H-Inden-1-one, 2-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: 70.0%

(pentacarbonyltungsten)(C(C6H5)SCH2C6H5) + methyl(diethylamino)acetylene (4231-35-0) → {(E)-3-(benzylthio)-1-(diethylamino)-2-methyl-3-phenyl-2-propenylidene}pentacarbonyltungsten + 2-methyl-1-indenone (5728-95-0) + t-3-(Benzylthio)-r-2-methyl-1-indanon (130169-35-6)

Guidance literature:

In diethyl ether; addn. of alkyne to thiocarbene complex in dry ether with vigorous stirring, 10 min react. at 20°C under inertgas, species distribution; chromy. (silica gel), elution of main product by petroleum ether (30-50°C)/CH2Cl2 (4:1)), of other products by petroleum ether/CH2Cl2 4:1 and 1:1, recrystn. from petroleum ether; elem. anal.;

Reference yield: 55.0%

carbon monoxide (201230-82-2) + isopropyl alcohol (67-63-0,8013-70-5) + 1-iodo-2-(prop-1-enyl)benzene → 2-methyl-1-indenone (5728-95-0) + 2-((E)-3-Methyl-but-1-enyl)-benzoic acid methyl ester + (1R,2S)-2-Methyl-3-oxo-indan-1-carboxylic acid isopropyl ester + (1R,2R)-2-Methyl-3-oxo-indan-1-carboxylic acid isopropyl ester

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In benzene; at 100 ℃; for 24h; under 30400 Torr; Title compound not separated from byproducts;

DOI:10.1021/ja9533196

Reference yield: 22.0%

methyl(diethylamino)acetylene (4231-35-0) → 2-methyl-1-indenone (5728-95-0) + r-2-Methyl-t-3-(phenylthio)-1-indanon (130169-34-5)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.166667h;

upstream raw materials:

carbon monoxide

isopropyl alcohol

ethene

methyl(diethylamino)acetylene

Downstream raw materials:

C₁₇H₁₆N₂O₂S

benzene-1,2-dicarboxylic acid

cis-2-ethoxy-3a-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan

1-(2,6-dimethoxyphenyl)-2-methylnaphthalene