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Cas Database |
| Name |
1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel- |
EINECS | N/A |
| CAS No. | 1461-96-7 | Density | 1.396 g/cm3 |
| PSA | 74.60000 | LogP | 0.57190 |
| Solubility | N/A | Melting Point |
132-136℃ |
| Formula | C7H10O4 | Boiling Point | 378.6 °C at 760 mmHg |
| Molecular Weight | 158.154 | Flash Point | 196.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
1,2-Cyclopentanedicarboxylicacid, cis- (8CI,9CI);1,2-cis-Cyclopentanedicarboxylic acid;cis-1,2-Cyclopentanedicarboxylic acid; |
Article Data | 28 |
1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel- Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 2-oxocyclohexane carboxylate In chloroform at 0 - 20℃; Stage #2: With potassium hydroxide In water at 0 - 20℃; Favorskii rearrangement; | 74% |
| Stage #1: ethyl 2-oxocyclohexane carboxylate With bromine In chloroform at 0 - 20℃; Stage #2: With potassium hydroxide In water at 0℃; for 6h; Stage #3: With hydrogenchloride In water pH=5; | 63% |
| Multi-step reaction with 2 steps 1: Br2 / CH2Cl2 2: aq. KOH; aq. HCl View Scheme |
- 30132-23-1
ethyl 3-bromo-2-oxocyclohexanecarboxylate
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide Favorskii rearrangement; | 73% |
| With hydrogenchloride; potassium hydroxide | |
| Multi-step reaction with 2 steps 1: aq. NaOH / ethanol 2: (i) AcCl, (ii) OH- View Scheme |
- 79692-84-5
2,4-dimethoxybicyclo<3.2.1>octane
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| 54% |
| Conditions | Yield |
|---|---|
| With platinum Hydrogenation; |
- 80656-14-0
trans-1,2-cyclopentanedicarboxylic acid
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| With acetic anhydride Loesen in Wasser oder in Kalilauge und Ansaeuern; | |
| (i) AcCl, (ii) OH-; Multistep reaction; | |
| Multi-step reaction with 2 steps 1: 1.5 h / 200 °C 2: H2O / Heating View Scheme |
- 62732-15-4
cis-1,2-divinylcyclopentane
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| (i) O3, AcOH, (ii) aq. H2O2; Multistep reaction; |
- 19042-30-9
exo-cis-6,7-Dihydroxy-cis-bicyclo<3,2,0>heptan
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid at 15 - 20℃; for 1h; |
- 35878-28-5, 743438-34-8
cyclopentane-cis-1,2-dicarboxylic acid anhydride
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| With water Heating; |
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)nickel (0); (c-C6H11)2PCH2CH2-2-pyridyl; sulfuric acid 1) THF, 20 deg C, 48 h, 2) THF, room temperature, 10 h; Yield given. Multistep reaction; |
- 118577-36-9
ethyl 5-bromo-2-oxocyclohexanecarboxylate
- 1461-96-7
cis-1,2-cyclopentanedicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 0℃; for 2h; Yield given; |
1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel- Specification
This chemical is called 1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel-, and its IUPAC name is (1R,2S)-cyclopentane-1,2-dicarboxylic acid. With the molecular formula of C7H10O4, its molecular weight is 158.15. The CAS registry number of this chemical is 1461-96-7.
Other characteristics of the 1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel- can be summarised as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 35.27 cm3; (13)Molar Volume: 113.2 cm3; (14)Polarizability: 13.98×10-24cm3; (15)Surface Tension: 64.6 dyne/cm; (16)Density: 1.396 g/cm3; (17)Flash Point: 196.9 °C; (18)Enthalpy of Vaporization: 68.79 kJ/mol; (19)Boiling Point: 378.6 °C at 760 mmHg; (20)Vapour Pressure: 8.88E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H]1CCC[C@@H]1C(=O)O
2.InChI: InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
3.InChIKey: ASJCSAKCMTWGAH-SYDPRGILBZ
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