824-63-5 (2-甲基茚满,1H-Indene,2,3-dihydro-2-methyl-)

快速询单

结构式：

2-甲基茚满MOL文件

CAS号：

824-63-5

中文名称：

2-甲基茚满

英文名称：

1H-Indene,2,3-dihydro-2-methyl-

分子式：

C₁₀H₁₂

分子量：

132.202282905579

2-甲基茚满(824-63-5)名称与标识符

名称

中文别名：

2-甲基茚满;

英文别名：

1H-Indene,2,3-dihydro-2-methyl-;2-methyl-2,3-dihydro-1H-indene;2,3-dihydro-2-methyl-1H-indene;2-methyl-indane;2-methylindan;AS-80987;DTXSID2073932;824-63-5;CS-0256526;72JV683408;InChI=1/C10H12/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,8H,6-7H2,1H;AKOS015966755;E77586;1H-Indene, 2,3-dihydro-2-methyl-;2-Methylindane;Indan, 2-methyl-;Q27266082;MFCD18157577;UNII-72JV683408;EN300-6494628;2-METHYL INDANE;.beta.-Methylindan;MWGYLUXMIMSOTM-UHFFFAOYSA-N;2,3-Dihydro-2-methyl-1H-indene (ACI);Indan, 2-methyl- (6CI, 7CI, 8CI);β-Methylindan;

标识符

MDL：

MFCD18157577

InChIKey：

MWGYLUXMIMSOTM-UHFFFAOYSA-N

Inchi：

1S/C10H12/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,8H,6-7H2,1H3

SMILES：

C1C=C2CC(CC2=CC=1)C

2-甲基茚满(824-63-5)物化性质

实验特性

折射率 : 1.5220
沸点 : 204.15°C (rough estimate)
密度 : 0.9400

计算特性

精确分子量 : 132.093900383g/mol
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 132.093900383g/mol
重原子数量 : 10
复杂度 : 103
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 0Å²

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2-甲基茚满(824-63-5)合成路线

合成路线：1 步

876-83-5

_100%

824-63-5

反应条件：

1.1 Reagents: Triethylsilane Solvents: Trifluoroacetic acid

参考文献：

Ionic and organometallic-catalyzed organosilane reductions

Larson, Gerald L.; et al, Organic Reactions (Hoboken, 2008, 71, 1-737

合成路线：1 步

2177-47-1

_95%

824-63-5

反应条件：

1.1 Catalysts: Cobalt chloride (CoCl2) , Sodium triethylborohydride , 1H-Imidazolium, 1-methyl-3-[2-(methylamino)ethyl]-, chloride (1:1) Solvents: Tetrahydrofuran ; 30 s, rt
1.2 Reagents: Hydrogen ; 16 h, 50 bar, 60 °C

参考文献：

Bidentate NHC-Cobalt Catalysts for the Hydrogenation of Hindered Alkenes

Wei, Zeyuan; et al, Organometallics, 2020, 39(17), 3082-3087

合成路线：1 步

2177-47-1

_95%

824-63-5

参考文献：

Synthesis of biological markers in fossil fuels. 2. Synthesis and carbon-13 NMR studies of substituted indans and tetralins

Adamczyk, Maciej; et al, Journal of Organic Chemistry, 1984, 49(22), 4226-37

合成路线：1 步

2177-47-1

_88%

824-63-5

反应条件：

1.1 Reagents: Hydrogen Catalysts: Sodium triethylborohydride , 2412493-24-2 Solvents: Toluene ; 0 °C; 5 min, 0 °C; overnight, rt
1.2 Reagents: Pentane

参考文献：

Bisoxazoline-pincer ligated cobalt-catalyzed hydrogenation of alkenes

Ritz, Mikhaila D. ; et al, Polyhedron, 2020, 180,

合成路线：1 步

17496-14-9

_91%

824-63-5

反应条件：

1.1 Reagents: Mercury , Zinc , Hydrochloric acid Solvents: Water

参考文献：

Substituent effects on the rate of carbene formation in the pyrolysis of indenyl diazo compounds

Kapur, S.; et al, Canadian Journal of Chemistry, 1988, 66(11), 2888-93

合成路线：1 步

71182-59-7

_35%

824-63-5

反应条件：

1.1 Reagents: Sodium nitrite , Sulfuric acid

参考文献：

Internal cyclization during dediazoniation of 2,5-bis(1,1,2,2-tetramethylpropyl)benzenediazonium ion

Sikkar, Rein; et al, Acta Chemica Scandinavica, 1979, 33(10), 773-4

合成路线：1 步

615-13-4

75-16-1

824-63-5

反应条件：

1.1 Solvents: Diethyl ether ; 0 °C; 2 h, rt
1.2 Reagents: Phosphorus tribromide Solvents: Dichloromethane ; 2 h, 20 °C
1.3 Reagents: Magnesium Solvents: Methanol ; 20 h, reflux
1.4 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Molecular conformations of jet-cooled 2-methylindan and 2-phenylindan

Hamza, Abdulhamid, Structural Chemistry, 2010, 21(5), 939-945

合成路线：1 步

64624-88-0

824-63-5

反应条件：

1.1 Solvents: Ethanol

参考文献：

A novel synthesis of 2-substituted indans

Mitra, R. B.; et al, Synthesis, 1977, (6), 415-17

合成路线：2 步

917-64-6

615-13-4

824-63-5

反应条件：

1.1 rt
1.2 Reagents: Phosphorus pentoxide Solvents: 1,2-Dichloroethane ; reflux
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; 24 h, 60 psi, rt

参考文献：

Reaction of benzyne with selected olefins and with conjugated anions

Manzara, Anthony Peter, 1972, , ,

合成路线：3 步

95-13-6

824-63-5

反应条件：

1.1 -
2.1 rt
2.2 Reagents: Phosphorus pentoxide Solvents: 1,2-Dichloroethane ; reflux
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; 24 h, 60 psi, rt

参考文献：

Reaction of benzyne with selected olefins and with conjugated anions

Manzara, Anthony Peter, 1972, , ,

合成路线：1 步

_52%

反应条件：

1.1 Reagents: 1,2-Dibromoethane , Magnesium Solvents: Tetrahydrofuran ; 2 h, rt; 1 h, rt
1.2 rt → reflux; 12 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Reaction of benzyne with selected olefins and with conjugated anions

Manzara, Anthony Peter, 1972, , ,

合成路线：1 步

反应条件：

1.1 Reagents: Dimethylacetamide , Potassium tert-butoxide Solvents: Mesitylene ; 164 °C; 6 h, reflux

参考文献：

Radical condensation between benzylic alcohols and acetamides to form 3-arylpropanamides

Azizi, Kobra; et al, Chemical Science, 2020, 11(30), 7800-7806

合成路线：1 步

_89%

反应条件：

1.1 Reagents: Potassium , Water

参考文献：

Potassium hydroxide as a promoter for the potassium metal-catalyzed side-chain alkylation of toluene

Smith, R. Scott; et al, Journal of Organometallic Chemistry, 1990, 382(3), 333-43

合成路线：1 步

反应条件：

1.1 Reagents: Hydrogen Solvents: Tetralin ; 3 h, 1 atm, 450 °C

参考文献：

Catalytic cracking of low-density polyethylene dissolved in various solvents: product distribution and coking behavior

Machhi, Dharmesh J.; et al, Journal of Material Cycles and Waste Management, 2023, 25(5), 3005-3020

2-甲基茚满(824-63-5)相关文献

1. The stereochemistry of organometallic compounds. Part II. Effects of non-bonded substituents on the cis–trans-equilibrium ratios of tricarbonyl(indane)chromiums
D. E. F. Gracey,W. R. Jackson,C. H. McMullen,N. Thompson J. Chem. Soc. B 1969 1197
2. Stereoselective synthesis of enantiomerically pure bowl-shaped hydroxytribenzotriquinacenes
Philipp Rommelmann,Beate Nachtigall,Tim Guntelmann,Harald Gr?ger,Dietmar Kuck Org. Biomol. Chem. 2018 16 5635
3. Stereoselective benzylic hydroxylation of 2-substituted indanes using toluene dioxygenase as biocatalyst
Nigel I. Bowers,Derek R. Boyd,Narain D. Sharma,Peter A. Goodrich,Melanie R. Groocock,A. John Blacker,Paul Goode,Howard Dalton J. Chem. Soc. Perkin Trans. 1 1999 1453
4. The stereochemistry of organometallic compounds. Part III. Interactions of non-bonded substituents in the kinetically controlled reactions of substituted indanes with hexacarbonylchromium and tricarbonyl(trispyridine)chromium
D. E. F. Gracey,W. R. Jackson,W. B. Jennings,T. R. B. Mitchell J. Chem. Soc. B 1969 1204
5. Stereocontrolled syntheses of (?)- and (+)-γ-diisoeugenol along with optically active eight stereoisomers of 7,8′-epoxy-8,7′-neolignan
Tatsuaki Takubo,Nao Kikuchi,Hisashi Nishiwaki,Satoshi Yamauchi Org. Biomol. Chem. 2021 19 2168
6. Indene-based scaffolds. Design and synthesis of novel serotonin 5-HT6receptor ligands
Ermitas Alcalde,Neus Mesquida,Jordi Frigola,Sara López-Pérez,Ramon Mercè Org. Biomol. Chem. 2008 6 3795
7. 642. The effect of conformation on the rate of unimolecular solvolysis of aralkyl chlorides
G. Baddeley,J. W. Rasburn,R. Rose J. Chem. Soc. 1958 3168
8. Synthesis of isocoumarins via indanones
Rachel H. Carter ( neé Rayner),Roger M. Colyer,Robert A. Hill,James Staunton J. Chem. Soc. Perkin Trans. 1 1976 1438
9. 539. The rearrangement of non-enolisable β-diketones. Part I
N. H. Bromham,A. R. Pinder J. Chem. Soc. 1959 2688
10. Nickel(0)-catalyzed intramolecular reductive coupling of alkenes and aldehydes or ketones with hydrosilanes
Yukari Hayashi,Yoichi Hoshimoto,Ravindra Kumar,Masato Ohashi,Sensuke Ogoshi Chem. Commun. 2016 52 6237