3-(Hydroxymethyl)cyclopentanone

Base Information

• Chemical Name: 3-(Hydroxymethyl)cyclopentanone
• CAS No.: 64646-09-9
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• European Community (EC) Number: 963-443-7
• Nikkaji Number: J412.525H

Synonyms:64646-09-9;3-(Hydroxymethyl)cyclopentanone;3-(HYDROXYMETHYL)CYCLOPENTAN-1-ONE;Cyclopentanone, 3-(hydroxymethyl)-;3-hydroxymethylcyclopentanone;MFCD19441023;Cyclopentanone,3-(hydroxymethyl)-,(S)-;SCHEMBL52699;ZUDJASYMJNCZKF-UHFFFAOYSA-N;AKOS032948600;BS-43373;SY283158;CS-0315717;FT-0749779;D79584;EN300-2990896

Chemical Property of 3-(Hydroxymethyl)cyclopentanone

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)CC1CO

Technology Process of 3-(Hydroxymethyl)cyclopentanone

There total 11 articles about 3-(Hydroxymethyl)cyclopentanone 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: 81.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + (+/-)-3-(hydroxymethyl)cyclopentanone (64646-09-9) + 1-hydroxyl-2,5-hexanedione (65313-46-4)

Guidance literature:

With Ni_0.53Al_0.47O_1.10H_0.39; hydrogen; In water; at 139.84 ℃; for 6h; under 15001.5 Torr; Pressure; Autoclave; Inert atmosphere;

DOI:10.1002/cssc.201501225

Reference yield: 64.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + (+/-)-3-(hydroxymethyl)cyclopentanone (64646-09-9)

Guidance literature:

With Ni_0.53Al_0.47O_1.10H_0.39; hydrogen; In water; at 119.84 ℃; for 6h; under 15001.5 Torr; Temperature; Autoclave; Inert atmosphere;

DOI:10.1002/cssc.201501225

Reference yield: 42.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → tetrahydrofuran-2,5-dimethanol (104-80-3,1122-89-0,2144-40-3,81370-88-9,81370-89-0) + hexane-1,2,6-triol (106-69-4,112254-74-7) + (+/-)-3-(hydroxymethyl)cyclopentanone (64646-09-9) + 3-(hydroxymethyl)cyclopentanol (111292-52-5)

Guidance literature:

With hydrogen; In water; at 135 ℃; for 24h; Catalytic behavior; Autoclave;

DOI:10.1016/j.cattod.2019.12.002

upstream raw materials:

5-hydroxymethyl-2-furfuraldehyde

Downstream raw materials:

cis-(+/-)-2-Amino-6-chloro-9-<4-(hydroxymethyl)-2-cyclopenten-1-yl>-9H-purine

<1S*,5S*>-8-methoxy-7-oxabicyclo<4.3.0>nonane-2-one

<1S*,5S*>-8-methoxy-7-oxabicyclo<4.3.0>nonane-2-one

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