trans-Cyclopentane-1,2-dicarboxylic Acid - CAS 1461-97-8
Catalog: |
BB010057 |
Product Name: |
trans-Cyclopentane-1,2-dicarboxylic Acid |
CAS: |
1461-97-8 |
Synonyms: |
(1R,2R)-cyclopentane-1,2-dicarboxylic acid; (1R,2R)-cyclopentane-1,2-dicarboxylic acid |
IUPAC Name: | (1R,2R)-cyclopentane-1,2-dicarboxylic acid |
Description: | trans-Cyclopentane-1,2-dicarboxylic Acid (CAS# 1461-97-8) is used as a reagent in the synthesis of isoxazoline and oxazoline analogs of CDA54 as voltage gated sodium channel blockers. trans-1,2-Cyclopentanedicarboxylic Acid is also a reagent in the preparation of cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H10O4 |
Canonical SMILES: | C1CC(C(C1)C(=O)O)C(=O)O |
InChI: | InChI=1S/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-/m1/s1 |
InChI Key: | ASJCSAKCMTWGAH-RFZPGFLSSA-N |
Boiling Point: | 378.6 °C at 760 mmHg |
Melting Point: | 163-165 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.396 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00001376 |
LogP: | 0.57190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480396-A | Process and apparatus for producing semi-aromatic polyamide | 20201031 |
WO-2021156403-A1 | Cross-linked aliphatic polyketones | 20200205 |
WO-2021151850-A1 | Thermoplastic polyamide molding compositions that resist heat | 20200127 |
WO-2021115916-A1 | Suspension concentrate | 20191213 |
WO-2021110903-A1 | Polyamide composition which is dyed in black, production and use thereof | 20191205 |
PMID | Publication Date | Title | Journal |
21731438 | 20110101 | One-dimensional hydrogen-bonded infinite chain from nickel(II) tetraaza macrocyclic complex and 1,2-cyclopentanedicarboxylate ligand | International journal of molecular sciences |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.05790880 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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