1-Indanone

Base Information

• Chemical Name: 1-Indanone
• CAS No.: 83-33-0
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 2914700090
• European Community (EC) Number: 201-470-1
• NSC Number: 2581
• UNII: V7021Y717I
• DSSTox Substance ID: DTXSID1058892
• Nikkaji Number: J4.629I
• Wikipedia: 1-Indanone
• Wikidata: Q15906439
• Metabolomics Workbench ID: 50901
• Mol file: 83-33-0.mol

Synonyms:indacrinic acid;indacrinone;indanone;indanone, (+-)-isomer;indanone, (R)-isomer;indanone, (S)-isomer;indanone, sodium salt;MK 196;MK 286;MK-286

Chemical Property of 1-Indanone

Chemical Property:

• Appearance/Colour: pale yellow liquid
• Melting Point: 38-40 °C
• Boiling Point: 244 °C at 760 mmHg
• Flash Point: 111.7 °C
• PSA: 17.07000
• Density: 1.148 g/cm³
• LogP: 1.81550
• Water Solubility.: 6.5 g/L (20 C)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn:Harmful
• Statements: R22:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: C1CC(=O)C2=CC=CC=C21

Technology Process of 1-Indanone

There total 394 articles about 1-Indanone 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: 74.0%

isopropyl butyrate (638-11-9) + 1-Indanol (6351-10-6) → (R)-indan-1-ol (697-64-3) + (S)-indanol (25501-32-0) + inden-1-one (83-33-0) + (R)-1-indanyl butyrate (158529-97-6)

Guidance literature:

With [(C4Ph4COHOCC4Ph4)(μ-H)][(CO)4Ru2]; Novozym(R) 435; 2,4-dimethylpentan-3-one; In toluene; at 70 ℃; for 40h; under 142.511 Torr;

DOI:10.1016/j.tetasy.2005.02.028

Reference yield: 67.0%

INDANE (496-11-7) → 1H-inden-1-one (480-90-0) + inden-1-one (83-33-0)

Guidance literature:

With 2-Iodobenzoic acid; potassium peroxomonosulfate; water; In acetonitrile;

DOI:10.1055/s-0028-1087384

Reference yield: 63.0%

1-Indanol (6351-10-6) → (R)-indan-1-ol (697-64-3) + (S)-indanol (25501-32-0) + inden-1-one (83-33-0)

Guidance literature:

With palladium dichloro (η-2,5-norbornadiene); oxygen; (-)-sparteine; In toluene; at 60 ℃; for 54h; Title compound not separated from byproducts;

DOI:10.1021/ja015791z

upstream raw materials:

quinoline

1-hydroxy-indene-2-carboxylic acid

thioisochromen-1-one

1-oxo-1H-isothiochromene-3-carboxylic acid

Downstream raw materials:

2-[4,5-dimethoxy-2-nitro-benzylidene-(seqtrans)]-indan-1-one

2-benzylidine-1-indanone

2-(4-methoxybenzylidene)-2,3-dihydro-1H-inden-1-one

2-[(E)-4-methoxyphenylmethylidene]-1-indanone

Refernces

• 1、 Luh. "-". . p. 169,170. Retrieved 1979.
• 2、 Xu, Xianzhu,Wang, Peng,Xia, Wujiong,Yang, Chao. "Solid state asymmetric synthesis of chiral crystals of 5- and 7-membered ring ketones". . p. 150 - 151. Retrieved 2008.
• 3、 Luh et al.. "-". . p. 5011. Retrieved 1978.
• 4、 Rinehart,Gustafson. "-". . p. 1836. Retrieved 1960.
• 5、 Shi, Shunli,Zhong, Yicheng,Hu, Zhuo,Wang, Lei,Yuan, Mingwei,Ding, Shunmin,Wang, Shuhua,Chen, Chao. "Chiral Yolk-Shell MOF as an Efficient Nanoreactor for Asymmetric Catalysis in Organic-Aqueous Two-Phase System". supporting information. p. 12714 - 12718. Retrieved 2021/09/11.
• 6、 Wang, Lingyao,Zhang, Yuanbin,Yuan, Haoran,Du, Renfeng,Yao, Jia,Li, Haoran. "Selective Aerobic Oxidation of Secondary C (sp3)-H Bonds with NHPI/CAN Catalytic System". . p. 1663 - 1669. Retrieved 2020/10/21.