Octahydro-1h-inden-5-ol

Base Information

• Chemical Name: Octahydro-1h-inden-5-ol
• CAS No.: 3716-38-9
• Molecular Formula: C₉H₁₆O
• Molecular Weight: 140.225
• Hs Code.: 2906199090
• European Community (EC) Number: 664-376-3
• NSC Number: 20778
• DSSTox Substance ID: DTXSID00281216
• Mol file: 3716-38-9.mol

Synonyms:octahydro-1h-inden-5-ol;3716-38-9;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol;NSC20778;SCHEMBL9909854;DTXSID00281216;HEXAHYDRO-5-INDANOL,TECH.;NSC-20778;AKOS006274800;SB85138;CS-0233495;EN300-134020

Chemical Property of Octahydro-1h-inden-5-ol

Chemical Property:

• Vapor Pressure: 0.0137mmHg at 25°C
• Boiling Point: 229°Cat760mmHg
• Flash Point: 93.3°C
• PSA: 20.23000
• Density: 1.018g/cm³
• LogP: 1.94750
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%min ^*data from raw suppliers

octahydro-1H-inden-5-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC(CC2C1)O

Technology Process of Octahydro-1h-inden-5-ol

There total 34 articles about Octahydro-1h-inden-5-ol 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%

(+/-)-trans-bicyclo<4.3.0>nonan-3-one (119594-92-2) → (+/-)-trans-bicyclo<4.3.0>nonan-3β-ol (3716-38-9,3932-87-4,13028-11-0,22982-00-9,26575-28-0,119595-02-7,119595-05-0,119595-06-1,119677-44-0,119677-45-1,119677-46-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo00269a010

Reference yield: 90.0%

5-hydroxy-2,3-dihydro-1H-indene (1470-94-6) → cis-bicyclo<4.3.0>nonan-3-ol (3716-38-9,3932-87-4,13028-11-0,22982-00-9,26575-28-0,119595-02-7,119595-05-0,119595-06-1,119677-44-0,119677-45-1,119677-46-2)

Guidance literature:

With hydrogen; nickel; In methanol; at 160 ℃; under 76000.1 Torr;

Reference yield:

(+/-)-cis-bicyclo<4.3.0>nonane-3,8-dione (119594-91-1) → (1R,3R,6R)-trans-bicyclo<4.3.0>nonan-3α-ol (3716-38-9,3932-87-4,13028-11-0,22982-00-9,26575-28-0,119595-02-7,119595-05-0,119595-06-1,119677-44-0,119677-45-1,119677-46-2) + (-)-(1S,3S,6S)-trans-bicyclo<4.3.0>nonan-3β-ol (119677-46-2)

Guidance literature:

With ethanol; NAD; In water; at 20 ℃; for 168h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; horse liver alcohol dehydrogenase (HLADH), pH 8.0;

DOI:10.1021/jo00269a010

upstream raw materials:

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

bicyclo<4.3.0>nona-2,9-diene

cis-bicyclo<4.3.0>nona-3,7-diene

cis-bicyclo<4.3.0>nona-2,7-diene

Downstream raw materials:

octahydro-5H-inden-5-one

(+/-)-cis-bicyclo<4.3.0>nonan-3-one

Refernces

• 1、 Arbuzov, V. A.,Pekhk, T. I.,Belikova, N. A.,Bobyleva, A. A.,Plate, A. F.. "HYDROBORATION AND OXYMERCURATION-DEMERCURATION OF CIS-BICYCLONONA-3,7-DIENE. SYNTHESIS OF CIS-BICYCLONONENONES". . p. 273 - 282. Retrieved 2007/10/02.