1,1'-Bicyclopentyl-1,1'-diol

Base Information

• Chemical Name: 1,1'-Bicyclopentyl-1,1'-diol
• CAS No.: 5181-75-9
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2906199090
• NSC Number: 157315
• DSSTox Substance ID: DTXSID00303200
• Nikkaji Number: J542.850E
• Wikidata: Q82048363
• Mol file: 5181-75-9.mol

Synonyms:1,1'-Bicyclopentyl-1,1'-diol;5181-75-9;1-(1-hydroxycyclopentyl)cyclopentan-1-ol;[1,1'-Bicyclopentyl]-1,1'-diol;NSC157315;bicyclopentyl-1,1'-diol;1,1'-dihydroxybicyclopentyl;bi(cyclopentane)-1,1'-diol;SCHEMBL641966;DTXSID00303200;AKOS000268284;NSC-157315;[1,1'-Bicyclopentyl]-1,1'-diol, 97%;[1,1'-BI(CYCLOPENTANE)]-1,1'-DIOL;(1 1'-BICYCLOPENTYL)-1 1'-DIOL 97

Chemical Property of 1,1'-Bicyclopentyl-1,1'-diol

Chemical Property:

• Melting Point: 106-110 °C(lit.)
• Boiling Point: 282.9°Cat760mmHg
• PKA: 15.15±0.20(Predicted)
• Flash Point: 132.9°C
• PSA: 40.46000
• Density: 1.199g/cm³
• LogP: 1.59660
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

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

[1,1′-Bicyclopentyl]-1,1′-diol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C1)(C2(CCCC2)O)O
• Uses: [1,1′-Bicyclopentyl]-1,1′-diol (Bptd) may be used in the synthesis of (BptdH-2)SeO, a cyclic selenite.

Technology Process of 1,1'-Bicyclopentyl-1,1'-diol

There total 11 articles about 1,1'-Bicyclopentyl-1,1'-diol 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: 76.1%

cyclopentanone (120-92-3) → Cyclopentanol (96-41-3) + bicyclopentyl-1,1'-diol (5181-75-9)

Guidance literature:

With water; titanium tetrachloride; zinc; In diethyl ether; at 40 ℃; for 15h; Inert atmosphere; Reflux;

DOI:10.1039/c7cc05101h

Reference yield: 75.0%

allyl iodid (556-56-9) + cyclopentanone (120-92-3) → 1-allylcyclopentan-1-ol (36399-21-0) + bicyclopentyl-1,1'-diol (5181-75-9)

Guidance literature:

With Pr; 1.) THF, 20 deg C, 2.) -20 deg C;

DOI:10.1007/BF00953055

Reference yield: 61.0%

allyl bromide (106-95-6) + cyclopentanone (120-92-3) → 1-allylcyclopentan-1-ol (36399-21-0) + bicyclopentyl-1,1'-diol (5181-75-9)

Guidance literature:

allyl bromide; With samarium; iodine; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

cyclopentanone; With water; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.01.091

upstream raw materials:

cyclohexanone

cyclopentanone

allyl iodid

dichloromethane

Downstream raw materials:

spiro[4.5]decan-6-one

bicyclopentyl-1,1'-diene

1,1'-diacetoxy-1,1'-bicyclopentane

11,13-Dioxa-dispiro[4.0.4.3]tridecan-12-one