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Trans-1,3-Cyclohexanediol is a colorless, odorless liquid with a molecular formula of C6H12O2. It is soluble in water and has a mild, sweet odor. This chemical compound serves as a versatile intermediate in the production of pharmaceuticals, fragrances, and polymers, and is also utilized as a solvent and reagent in organic synthesis. Its potential applications extend to medicine and biochemistry, where it can inhibit enzymes and modulate biological pathways.

5515-64-0

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5515-64-0 Usage

Uses

Used in Pharmaceutical Industry:
Trans-1,3-Cyclohexanediol is used as a chemical intermediate for the synthesis of various pharmaceutical products due to its ability to be incorporated into complex molecular structures.
Used in Fragrance Industry:
It is used as a chemical intermediate in the production of fragrances, contributing to the creation of unique scents and aromas.
Used in Polymer Industry:
Trans-1,3-Cyclohexanediol is used as a chemical intermediate in the synthesis of polymers, which are essential in the manufacturing of plastics and other materials.
Used in Organic Synthesis:
It is used as a solvent and reagent in organic synthesis, facilitating various chemical reactions and processes.
Used in Medicine and Biochemistry:
Trans-1,3-Cyclohexanediol has potential applications in medicine and biochemistry due to its ability to inhibit enzymes and modulate biological pathways, making it a valuable compound for research and development in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 5515-64-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,1 and 5 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5515-64:
(6*5)+(5*5)+(4*1)+(3*5)+(2*6)+(1*4)=90
90 % 10 = 0
So 5515-64-0 is a valid CAS Registry Number.

5515-64-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name trans-1,3-dihydroxycyclohexane

1.2 Other means of identification

Product number -
Other names TRANS-1,3-CYCLOHEXANEDIOL

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5515-64-0 SDS

5515-64-0Relevant academic research and scientific papers

Chemoselective formation of cyclo-aliphatic and cyclo-olefinic 1,3-diolsviapressure hydrogenation of potentially biobased platform molecules using Kn?lker-type catalysts

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.

supporting information, p. 10102 - 10112 (2021/08/03)

The hydrogenative conversions of the biobased platform molecules 4-hydroxycyclopent-2-enone and cyclopentane-1,3-dione to their corresponding 1,3-diols are established using a pre-activated Kn?lker-type iron catalyst. The catalyst exhibits a high selectivity for ketone reduction, and does not induce dehydration. Moreover, by using different substituents of the ligand, thecis-transratio of the products can be affected substantially. A decent compatibility of this catalytic system with various structurally related substrates is demonstrated.

Phenol and dihydroxybenzene hydrogenation catalysts based on polyamide dendrimers and rhodium species

Zakharyan,Ma, Gouqiung,Maksimov,Karakhanov,Voronina

, p. 412 - 419 (2015/02/19)

Heterogeneous catalysts based on rhodium nanoparticles and first- and second-generation poly(amidoamine) (PAMAM) dendrimers crosslinked with hexamethylene diisocyanate have been synthesized. It has been found that catalyst samples with a particle size of 0.88 to 1.96 nm, depending on the PAMAM dendrimer generation, are effective in the hydrogenation of phenol, hydroquinone, resorcinol, and pyrocatechol (85°C, 30 atm O2, 2 h). In phenol hydrogenation, the selectivity for cyclohexanone is 100%. Cyclohexanone has not undergone further transformation under the reaction conditions. The main products of dihydroxybenzene hydrogenation have been trans-cyclohexanediols, with their proportion decreasing in the order: resorcinol > hydroquinone > pyrocatechol. The selectivity has been found to be 100% for 1,3-cyclohexanediol, 97-99% for 1,4-cyclohexanediol, and 33-91% for 1,2-cyclohexanediol. The catalysts based on the second-generation dendrimer have shown a high activity in dihydroxybenzene hydrogenation (TOF of 6600 to 35000 h-1).

Catalytic 1,3-difunctionalisation of organic backbones through a highly stereoselective, one-pot, boron conjugate-addition/reduction/oxidation process

Sole, Cristina,Tatla, Amolak,Mata, Jose A.,Whiting, Andrew,Gulyas, Henrik,Fernandez, Elena

supporting information; experimental part, p. 14248 - 14257 (2012/01/19)

A simple one-pot, three-step synthetic route to chiral 1,3-amino alcohols and 1,3-diols has been established. Considering the overall stereocontrol of the synthetic protocol, the first and key step is an enantioselective β-boration of α,β-unsaturated imin

Efficient and Practical Arene Hydrogenation by Heterogeneous Catalysts under Mild Conditions

Maegawa, Tomohiro,Akashi, Akira,Yaguchi, Kiichiro,Iwasaki, Yohei,Shigetsura, Masahiro,Monguchi, Yasunari,Sajiki, Hironao

experimental part, p. 6953 - 6963 (2010/02/28)

An efficient and practical arene hydrogenation procedure based on the use of heterogeneous platinum group catalysts has been developed. Rh/C is the most effective catalyst for the hydrogenation of the aromatic ring, which can be conducted in iPrOH under neutral conditions and at ordinary to medium H 2 pressures (10 atm). A variety of arenes such as alkylbenzenes, benzoic acids, pyridines, furans, are hydrogenated to the corresponding cyclohexyl and heterocyclic compounds in good to excellet yields. The use of Ru/C, less expensive than Rh/C, affords an effective and practical method for the hydrogenation of arenes including phenols. Both catalysts can be reused several times after simple filtration without any significant loss of catalytic activity.

Enzymatic resolution, desymmetrization, and dynamic kinetic asymmetric transformation of 1,3-cycloalkanediols

Fransson, Ann-Britt L.,Xu, Yongmei,Leijondahl, Karin,Baeckvall, Jan-E.

, p. 6309 - 6316 (2007/10/03)

An efficient desymmetrization of cis-1,3-cyclohexanediol to (1S,3R)-3-(acetoxy)-1-cyclohexanol ((R,S)-2a) was performed via Candida antarctica lipase B (CALB)-catalyzed transesterification, in high yield (up to 93%) and excellent enantioselectivity (ee's

Pathways of liquid-phase oxidation of cyclohexanol

Puchkov,Buneeva,Perkel'

, p. 248 - 253 (2007/10/03)

The kinetics of product accumulation in uncatalyzed oxidation of cyclohexanol at 403 K was studied. Along with the compounds originating from oxidation of cyclohexanol at position 1 (cyclohexanone, hydrogen peroxide, 1-hydroxycyclohexyl hydroperoxide), products formed by oxidation of C-H bonds at positions 2-4 were detected: 2-, 3-, and 4-hydroxycyclohexyl hydroperoxides (cis and trans isomers), 1,2-, 1,3-, and 1,4-dihydroxycyclohexanes (cis and trans isomers), 2- and 4-hydroxycyclohexanones, and 2-cyclohexenone.

Molecular Recognition and Stereoselectivity: Geometrical Requirements for the Multiple Hydrogen-Bonding Interaction of Diols with a Multidentate Polyhydroxy Macrocycle

Kikuchi, Yasuaki,Kato, Yasushi,Tanaka, Yasutaka,Toi, Hiroo,Aoyama, Yasuhiro

, p. 1349 - 1354 (2007/10/02)

Resorcinol-dodecanal cyclotetramer 1 in CDCl3 forms hydrogen-bonded, 1/1 complexes with cyclohexanediols as well as with 2,4-pentane- and 2,5-hexanediol as their open-chain analogues and cyclohexanol and cis- and trans-4-tert-butylcyclohexanol.The affinities to 1 of cyclic diols (K=(1.1-10) * 102 M-1 at 25 deg C) are significantly larger than those of open-chain diols (36-43 M-1) and monools (8-11 M-1).Those of regio- and stereoisomers of cyclohexanediol depend on the configuration (axial-equatorial > diequatorial) and relative positions (1,4 >> 1,2 > 1,3) of the two OH groups involved and decrease in the order cis-1,4 (K=1.04 * 103) > cis-1,2 (2.64 * 102) > trans-1,3 (1.81 * 102) > trans-1,4 (1.29 * 102) > cis-1,3 (1.24 * 102) > trans-1,2 (1.06 * 102 M-1); the stereoselectivities are thus cis-1,4/trans-1,4 = 8.0, cis-1,2/trans-1,2 = 2.5, and trans-1,3/cis-1,3 = 1.5.The selectivities in the diol binding are discussed in terms of multiple hydrogen bonding of diol and 1.The relatively large binding constant (K) for cis-1,4-diol with one axial and one equatorial OH group is attributed to an effective and simultaneous two-point hydrogen bonding of the two OH groups with two adjacent binding sites of 1 as a multidentate host.

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