| Identification | More | [Name]
trans-1,4-Cyclohexanedicarboxybic acid | [CAS]
619-82-9 | [Synonyms]
trans-1,4-cyclohexanedicarboxybic acid
TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID
TRANS-CYCLOHEXAN-1,4-DICARBOXYLIC ACID
TRANS-HEXAHYDROTEREPHTHALIC ACID
trans-1,4-Cyclohexyldicarboxylic acid
1,4-Cyclohexanedicarboxylic acid, trans-
TRANS-CYCLOHEXANE-1,4-DICARBOXYLIC ACID
trans-Hexahydro-p-phthalic acid | [EINECS(EC#)]
210-614-2 | [Molecular Formula]
C8H12O4 | [MDL Number]
MFCD00066203 | [Molecular Weight]
172.18 | [MOL File]
619-82-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
>300 °C(lit.)
| [Boiling point ]
262.49°C (rough estimate) | [density ]
1.2104 (rough estimate) | [refractive index ]
1.4795 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
pK1:4.18 ;pK2:5.42 (16°C) | [color ]
White to Almost white | [Water Solubility ]
Soluble in hot methanol (almost transparency), ethanol, acetone. Slightly soluble in ether and water | [InChI]
InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6- | [InChIKey]
PXGZQGDTEZPERC-IZLXSQMJSA-N | [SMILES]
[C@@H]1(C(O)=O)CC[C@@H](C(O)=O)CC1 | [CAS DataBase Reference]
619-82-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1,4-Cyclohexanedicarboxylic acid, trans-(619-82-9) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29172090 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
It is a pharmaceutical intermediate. | [Definition]
ChEBI: 1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4. | [Synthesis]
The general procedure for the synthesis of cis-1,4-cyclohexanedicarboxylic acid from terephthalic acid is as follows: 200 g of terephthalic acid, 15 g of the Pd-Pt/C catalyst described in Examples 1 to 14 and 1000 g of water were added to an autoclave and stirring was initiated. Three nitrogen purges were first performed, followed by three replacements with hydrogen. The system was pressurized to a hydrogen pressure of 4 MPa and the reaction temperature was kept stable at 200°C, and hydrogen was continuously supplied to the reaction for 3 hours. At the end of the reaction, the catalyst was removed by filtration while hot, and the filtrate was cooled and filtered again to collect the filter cake. The filter cake was dried at 120 °C to obtain the solid product. The solid product was analyzed by liquid chromatography to determine the contents of 1,4-cyclohexanedicarboxylic acid and trans-1,4-cyclohexanedicarboxylic acid therein, from which the yields of 1,4-cyclohexanedicarboxylic acid and the selectivity of trans-1,4-cyclohexanedicarboxylic acid were calculated, and the specific results are shown in Table 2. | [References]
[1] Patent: CN103769089, 2016, B. Location in patent: Paragraph 0029; 0030
[2] RSC Advances, 2017, vol. 7, # 30, p. 18178 - 18188
[3] Patent: CN105237341, 2016, A. Location in patent: Paragraph 0014
[4] Patent: KR2017/36493, 2017, A. Location in patent: Paragraph 0057; 0058; 0059
[5] Patent: KR2018/35585, 2018, A. Location in patent: Paragraph 0117-0121; 0145; 0146 |
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