1-Indanol

Base Information

• Chemical Name: 1-Indanol
• CAS No.: 6351-10-6
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29062990
• European Community (EC) Number: 228-755-3,253-146-4
• NSC Number: 31258
• UNII: LHG5BD7LOR
• DSSTox Substance ID: DTXSID10871162
• Nikkaji Number: J113.866I
• Wikidata: Q27102031
• Metabolomics Workbench ID: 50600
• ChEMBL ID: CHEMBL4564909
• Mol file: 6351-10-6.mol

Synonyms:1-indanol;1-indanol, (+-)-isomer;1-indanol, (R)-isomer;1-indanol, (S)-isomer

Chemical Property of 1-Indanol

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline solid
• Melting Point: 50-53 °C
• Refractive Index: 1.5630 (estimate)
• Boiling Point: 255.1 °C at 760 mmHg
• PKA: 14.23±0.20(Predicted)
• Flash Point: 145 °C
• PSA: 20.23000
• Density: 1.161 g/cm³
• LogP: 1.66620
• Storage Temp.: Store at RT.
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Soluble in water 10 g/L at 20°C, ethanol, benzene.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Indanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C1O
• Uses: 1-Indanol derivative was found to be an efficient ligand for the palladium-catalyzed asymmetric Heck reaction. It is used as pharmaceutical intermediate.

Technology Process of 1-Indanol

There total 70 articles about 1-Indanol 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: 75.3%

INDANE (496-11-7) → 1-Indanol (6351-10-6) + inden-1-one (83-33-0)

Guidance literature:

With N-hydroxyphthalimide; oxygen; butane-2,3-dione dioxime; In acetonitrile; at 80 ℃; for 8h; under 3750.38 Torr;

DOI:10.1002/adsc.200900509

Reference yield: 64.0%

tert.-butylhydroperoxide (75-91-2) + INDANE (496-11-7) → 1-Indanol (6351-10-6) + inden-1-one (83-33-0) + tert-butyl indan-1-yl peroxide (101267-47-4)

Guidance literature:

With copper(II) choride dihydrate; tetrabutyl-ammonium chloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 20 ℃; for 17h; Reagent/catalyst; Green chemistry;

DOI:10.1515/chem-2020-0018

Reference yield: 32.0%

INDANE (496-11-7) + acetic acid (64-19-7,77671-22-8) → 1-Indanol (6351-10-6) + 2,3-dihydro-1H-inden-1-yl-acetate (26452-98-2) + inden-1-one (83-33-0)

Guidance literature:

With C₂₆H₂₈F₆MnN₆O₇S₂; dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol4037083

upstream raw materials:

1-chloroindane

2,3-dihydro-1H-inden-1-yl-acetate

1-indanyl hydroperoxide

trans-2-bromo-1-indanol

Downstream raw materials:

1-indanyl p-fluorobenzoate

inden-1-one

ethylene dibromide

2,3-dihydro-1H-inden-1-yl-acetate

Refernces

• 1、 Guo, Changyan,Zhang, Yonghong,Guo, Yuan,Zhang, Liugen,Zhang, Yi,Wang, Jide. "A general and efficient approach for tuning the crystal morphology of classical MOFs". . p. 252 - 255. Retrieved 2018.
• 2、 Chang, Alison Sy-Min,Cook, Amanda K.,Kawamura, Kiana E.,Martin, Daryl J.,Morris, Parker T.,Smith, Haley M.. "Modular Ni(0)/Silane Catalytic System for the Isomerization of Alkenes". supporting information. p. 486 - 496. Retrieved 2022/03/02.
• 3、 Feng, Xuanyu,Song, Yang,Chen, Justin S.,Xu, Ziwan,Dunn, Soren J.,Lin, Wenbin. "Rational Construction of an Artificial Binuclear Copper Monooxygenase in a Metal-Organic Framework". supporting information. p. 1107 - 1118. Retrieved 2021/01/25.