1,3-Cyclopentanediol

Base Information

• Chemical Name: 1,3-Cyclopentanediol
• CAS No.: 59719-74-3
• Molecular Formula: C₅H₁₀O₂
• Molecular Weight: 102.133
• Hs Code.: 29061990
• European Community (EC) Number: 261-880-1
• NSC Number: 351119
• DSSTox Substance ID: DTXSID80871255
• Nikkaji Number: J90.065F
• Wikidata: Q72460324
• Mol file: 59719-74-3.mol

Synonyms:1,3-Cyclopentanediol;59719-74-3;Cyclopentane-1,3-diol;EINECS 261-880-1;trans-cyclopentane-1,3-diol;1alpha,3alpha-Cyclopentanediol;1932191-74-6;1,3-cyclopentandiol;1,4-cyclopentanediol;cyclopentan-1,3-diol;3-hydroxy cylcopentanol;Cyclopentane 1,3-diol;1,3-Dihydroxycyclopentane;OC1CCC(O)C1;SCHEMBL33452;DTXSID80871255;AMY33501;MFCD00001367;NSC351119;AKOS015903194;NSC 351119;NSC-351119;SB17567;SB17568;SB17569;SB40648;AS-50367;BP-12626;(S)-2-N,N-Dibenzylamino-3-methylbutanol;C2534;CS-0049625;FT-0766066;3-(5-Nitrofuran-2-yl)-1H-1,2,4-triazole;EN300-109098;P10003;A857177;J-640357;J-800361

Chemical Property of 1,3-Cyclopentanediol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.000469mmHg at 25°C
• Melting Point: 40 °C(lit.)
• Refractive Index: n20/D 1.484(lit.)
• Boiling Point: 279.9 °C at 760 mmHg
• PKA: 14.65±0.40(Predicted)
• Flash Point: 120.2 °C
• PSA: 40.46000
• Density: 1.235 g/cm³
• LogP: -0.10790
• Storage Temp.: 0-6°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 55.1

Purity/Quality:

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

1,3-Cyclopentanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CC1O)O
• Uses: 1,3-Cyclopentanediol was used in the synthesis of 1,3-cyclopentanediol bis(4-methylbenzenesulfonate) and β-hydroxy-substituted cyclic carbonyl compounds. It was also used in direct enantiomer resolution of diols without derivatization on a chiral polysiloxane by capillary gas chromatography.

Technology Process of 1,3-Cyclopentanediol

There total 17 articles about 1,3-Cyclopentanediol 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: 99.0%

4-Hydroxycyclopent-2-enone (59995-47-0,59995-49-2,61305-27-9,61740-29-2) → 1,3-dihydroxycyclopentane (16326-97-9,16326-98-0,59719-74-3)

Guidance literature:

In tetrahydrofuran; at 160 ℃; for 1h; Reagent/catalyst; Temperature; Solvent; Concentration;

Reference yield: 69.0%

1,3-cyclopentadione (3859-41-4) → 1,3-dihydroxycyclopentane (16326-97-9,16326-98-0,59719-74-3)

Guidance literature:

With hydrogen; isopropyl alcohol; ruthenium-based catalyst; In toluene; at 80 ℃; for 48h;

DOI:10.1021/jo0612527

Reference yield: 47.0%

(+/-)-trans-1,3-cyclopentanediol (16326-98-0) → (S)-3-hydroxycyclopentanone (109905-54-6) + trans-1,3-cyclopentanediol (16326-97-9,16326-98-0,59719-74-3)

Guidance literature:

With oxygen; potassium carbonate; In water; at 60 ℃; for 168h; under 760.051 Torr; enantioselective reaction;

DOI:10.1021/jacs.6b12113

upstream raw materials:

1,3-dihydroxycyclopentane

(2-furyl)methyl alcohol

4-Hydroxycyclopent-2-enone

(+/-)-trans-1,3-cyclopentanediol

Downstream raw materials:

trans-1,3-cyclopentanediol

3-(2-amino-5-fluorophenoxy)cyclopentanol

2-{3-[5-(3-hydroxycyclopentyloxy)pyrimidin-2-yl]benzyl}-6-(1-methyl-1H-pyrazol-4-yl)-2H-pyridazin-3-one

C₂₄H₃₁ClN₄O₅

Refernces

• 1、 Alsters, Paul L.,Chou, Khi Chhay,De Wildeman, Stefaan M. A.,Faber, Teresa,Hadavi, Darya,Han, Peiliang,Quaedflieg, Peter J. L. M.,Schwalb Freire, Alfonso J.,Verzijl, Gerard K. M.,van Slagmaat, Christian A. M. R.. "Chemoselective formation of cyclo-aliphatic and cyclo-olefinic 1,3-diolsviapressure hydrogenation of potentially biobased platform molecules using Kn?lker-type catalysts". supporting information. p. 10102 - 10112. Retrieved 2021/08/03.
• 2、 Li, Guangyi,Hou, Baolin,Wang, Aiqin,Xin, Xuliang,Cong, Yu,Wang, Xiaodong,Li, Ning,Zhang, Tao. "Making JP-10 Superfuel Affordable with a Lignocellulosic Platform Compound". supporting information. p. 12154 - 12158. Retrieved 2019/08/12.