5-Indanol

Base Information

• Chemical Name: 5-Indanol
• CAS No.: 1470-94-6
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29062900
• European Community (EC) Number: 216-006-3
• NSC Number: 9775
• UNII: 9Z94H6F15T
• DSSTox Substance ID: DTXSID0051732
• Nikkaji Number: J40.603A
• Wikidata: Q27126618
• Metabolomics Workbench ID: 60545
• ChEMBL ID: CHEMBL3218378
• Mol file: 1470-94-6.mol

Synonyms:5-INDANOL;1470-94-6;2,3-dihydro-1H-inden-5-ol;Indan-5-ol;5-Hydroxyindan;5-Hydroxyhydrindene;1H-Inden-5-ol, 2,3-dihydro-;5-Hydroxyindane;NSC 9775;EINECS 216-006-3;BRN 1936314;UNII-9Z94H6F15T;AI3-39160;DTXSID0051732;CHEBI:59311;9Z94H6F15T;NSC-9775;4-06-00-03829 (Beilstein Handbook Reference);Indanol-5;NSC9775;MFCD00003802;5-Indanol, 99%;2,3-dihydroinden-5-ol;WLN: L56T&J GQ;1H-Inden-5-ol,3-dihydro-;SCHEMBL281714;CHEMBL3218378;DTXCID6030287;AMY15292;Tox21_303902;AKOS005207221;AC-4785;NCGC00357155-01;AS-44253;LS-81286;CAS-1470-94-6;CS-0214750;FT-0620500;H0251;EN300-19024;A808601;J-008311;Q27126618

Chemical Property of 5-Indanol

Chemical Property:

• Appearance/Colour: light brown to grey-brown crystalline powder
• Vapor Pressure: 0.0118mmHg at 25°C
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 252.999 °C at 760 mmHg
• PKA: 10.37±0.20(Predicted)
• Flash Point: 120.496 °C
• PSA: 20.23000
• Density: 1.147 g/cm³
• LogP: 1.88090
• Storage Temp.: Store below +30°C.
• Solubility.: 6.3g/l
• XLogP3: 2.4
• 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% ^*data from raw suppliers

5-Indanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 21-20/21/22
• Safety Statements: 36/37-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: C1CC2=C(C1)C=C(C=C2)O
• Uses: 5-Indanol is a 5-hydroxyindole analog with weak inhibitory activity against human melanoma tyrosinase. 5-Indanol is also used as a reagent in the preparation of Sodium Indanylcarbinicillin; a compound which has been shown to reduce blood pressure in mammals and also has been used as a β-lactam antibiotic.

Technology Process of 5-Indanol

There total 22 articles about 5-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: 98.0%

3a-hydroxy-6-(phenylthio)hexahydro-5-indanone (77202-23-4) → 5-hydroxy-2,3-dihydro-1H-indene (1470-94-6)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 6.5h;

DOI:10.1021/jo00346a012

Reference yield: 93.0%

(indan-5-yloxy)trimethylsilane → 5-hydroxy-2,3-dihydro-1H-indene (1470-94-6)

Guidance literature:

With aminosulfonic acid; water; at 20 ℃; for 2.5h;

DOI:10.1080/00397910903097344

Reference yield: 90.0%

C14H18O2 → 5-hydroxy-2,3-dihydro-1H-indene (1470-94-6)

Guidance literature:

With methanol; at 20 ℃; for 1h;

DOI:10.1007/s11164-015-2239-3

upstream raw materials:

5-hydroxy-2,3-dihydro-1H-indene-1-one

indan-5-amine

3a-hydroxy-6-(phenylthio)hexahydro-5-indanone

6-oxo-1,2,3,6-tetrahydroindene-3a-carboxylic acid tert-butyl ester

Downstream raw materials:

acetic acid indan-5-ylester

5-methoxyindane

6,6'-(4-methoxybenzylidene)-bis(indan-5-ol)

(6-hydroxy-2,3-dihydro-1H-inden-5-yl)(2-methylphenyl)methanone

Refernces

• 1、 Huang, Jing-Kai,Shia, Kak-Shan. "Development of a Cross-Conjugated Vinylogous [4+2] Anionic Annulation and Application to the Total Synthesis of Natural Antibiotic (±)-ABX". . p. 6540 - 6545. Retrieved 2020.
• 2、 Barun, Okram,Nandi, Sukumar,Panda, Kausik,Ila, Hiriyakkanavar,Junjappa, Hiriyakkanavar. "[4 + 2] Cycloaromatization of 4-bis(methylthio)-3-buten-2-one with active methylene ketones: A simple and facile phenol annulation". . p. 5398 - 5401. Retrieved 2002.
• 3、 Rostami, Amin,Tahmasbi, Bahman,Abedi, Fatemeh. "Supported N-propylsulfamic acid onto Fe3O4 magnetic nanoparticles as a reusable and efficient nanocatalyst for the protection/deprotection of hydroxyl groups and protection of aldehydes". . p. 3689 - 3701. Retrieved 2016/04/05.
• 4、 Yuan, Changxia,Liang, Yong,Hernandez, Taylor,Berriochoa, Adrian,Houk, Kendall N.,Siegel, Dionicio. "Metal-free oxidation of aromatic carbon-hydrogen bonds through a reverse-rebound mechanism". . p. 192 - 196. Retrieved 2013/08/23.