Cas no 91142-58-4 (2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid)

2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid structure
91142-58-4 structure
Product Name:2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CAS No:91142-58-4
MF:C11H12O2
MW:176.211783409119
MDL:MFCD16658798
CID:2182309
PubChem ID:15338842
Update Time:2024-10-26

2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-indan-2-carboxylic acid
    • 2,3-Dihydro-2-methyl-1H-indene-2-carboxylic acid (ACI)
    • 2-Indancarboxylic acid, 2-methyl- (7CI)
    • 2-Methyl-2,3-dihydro-1H-indene-2-carboxylic acid
    • 2-Methylindane-2-carboxylic acid
    • MFCD16658798
    • Z1259317000
    • DB-282059
    • 2,3-dihydro-2-methyl-1H-indene-2-carboxylic acid
    • 2-METHYL-1,3-DIHYDROINDENE-2-CARBOXYLIC ACID
    • CS-0236269
    • AKOS014742863
    • 91142-58-4
    • 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(methylamino)propan-1-ol
    • SCHEMBL1786936
    • EN300-1699582
    • VWCCBMWZNOWFDT-UHFFFAOYSA-N
    • 2-Methyl-2,3-dihydro-1H-indene-2-carboxylicacid
    • DB-261496
    • 1342561-92-5
    • 2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
    • MDL: MFCD16658798
    • Inchi: 1S/C11H12O2/c1-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)
    • InChI Key: VWCCBMWZNOWFDT-UHFFFAOYSA-N
    • SMILES: O=C(C1(CC2C(=CC=CC=2)C1)C)O

Computed Properties

  • Exact Mass: 176.083729621g/mol
  • Monoisotopic Mass: 176.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 37.3?2

2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid Pricemore >>

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2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  < 0 °C; 45 min, < 0 °C
1.2 0 °C → rt; 1 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Catalytic Decarboxylative Radical Sulfinylation
He, Shi-Hui; Chen, Guang-Le; Gong, Xing-Yu; Ao, Gui-Zhen; Liu, Feng, Journal of Organic Chemistry, 2023, 88(11), 6671-6681

Production Method 2

Reaction Conditions
Reference
Secondary fungal metabolites and their biological activities. IV. Synthesis of compounds with structural similarities to the toxic metabolites of the pathogenic fungus Heterobasidion annosum and investigation of their antibiotic activities
Sonnenbichler, Johann; Dietrich, Juergen; Schaefer, Wolfram; Zetl, Isolde, Biological Chemistry Hoppe-Seyler, 1993, 374(11), 1047-55

Production Method 3

Reaction Conditions
1.1 Reagents: Lithium hydroxide ,  Hydrogen peroxide Solvents: Methanol ,  Water ;  20 min, 0 °C
1.2 Solvents: Methanol ;  30 min, 0 °C; 30 min, rt
1.3 Reagents: Sodium hydroxide Solvents: Diethyl ether ,  Water ;  rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Mechanism and regioselectivity of the anionic oxidative rearrangement of 1,3-diketones towards all-carbon quaternary carboxylates
Bratt, Emma; Suarez-Pantiga, Samuel; Johansson, Magnus J.; Mendoza, Abraham, Chemical Communications (Cambridge, 2019, 55(60), 8844-8847

Production Method 4

Reaction Conditions
1.1 Reagents: Triethanolamine Catalysts: Tetraethylammonium iodide Solvents: Dimethylformamide ;  8 h, 1 atm, rt
Reference
Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins
Alkayal, Anas; Tabas, Volodymyr; Montanaro, Stephanie; Wright, Iain A. ; Malkov, Andrei V. ; et al, Journal of the American Chemical Society, 2020, 142(4), 1780-1785

Production Method 5

Reaction Conditions
1.1 Reagents: Silver carbonate ,  Oxygen ,  Pyridinium, 1-fluoro-2,4,6-trimethyl-, tetrafluoroborate(1-) (1:1) Catalysts: Palladium(2+), tetrakis(acetonitrile)-, (SP-4-1)-, tetrafluoroborate(1-) (1:2) Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ;  3 min, rt; 12 h, rt → 90 °C; 90 °C → rt
1.2 Reagents: Formic acid ;  rt
Reference
Rapid Construction of Tetralin, Chromane, and Indane Motifs via Cyclative C-H/C-H Coupling: Four-Step Total Synthesis of (±)-Russujaponol F
Zhuang, Zhe ; Herron, Alastair N. ; Liu, Shuang; Yu, Jin-Quan, Journal of the American Chemical Society, 2021, 143(2), 687-692

Production Method 6

Reaction Conditions
1.1 Reagents: Silver carbonate ,  Pyridinium, 1-fluoro-2,4,6-trimethyl-, tetrafluoroborate(1-) (1:1) Catalysts: Palladium(2+), tetrakis(acetonitrile)-, (SP-4-1)-, tetrafluoroborate(1-) (1:2) Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ;  3 min, rt; 12 h, rt → 90 °C; 90 °C → rt
1.2 Reagents: Formic acid ;  rt
Reference
Rapid construction of tetralin, chromane, and indane motifs via cyclative C-H/C-H coupling: four-step total synthesis of (±)- russujaponol F
Zhuang, Zhe; Herron, Alastair N.; Liu, Shuang; Yu, Jin-Quan, ChemRxiv, 2020, 1, 1-6

Production Method 7

Reaction Conditions
Reference
Substituted imidazole derivatives and their use
, European Patent Organization, , ,

2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid Raw materials

2-methyl-2,3-dihydro-1H-indene-2-carboxylic acid Preparation Products

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