trans-Cyclopentane-1,2-dicarboxylic Acid
Product Information
Molecular Formula
C7H10O4
Molecular Weight
158.15
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.
Synonyms
(1R,2R)-cyclopentane-1,2-dicarboxylic acid; (1R,2R)-cyclopentane-1,2-dicarboxylic acid
IUPAC Name
(1R,2R)-cyclopentane-1,2-dicarboxylic acid
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
LogP
0.57190
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
158.05790880 g/mol
Monoisotopic Mass
158.05790880 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
167
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114058008-A | Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions | 2021-12-13 |
| CN-114058009-A | Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions | 2021-12-13 |
| CN-114058010-A | Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-114133559-A | Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions | 2021-12-13 |
| CN-112480396-A | Process and apparatus for producing semi-aromatic polyamide | 2020-10-31 |
| WO-2022043180-A1 | Method for uv curing of water-based polyurethane paint dispersions without uv-c-activatable surface initiators | 2020-08-28 |
| WO-2022018213-A1 | Application of the ring-opening of uretdiones at low temperature and ambient atmosphere | 2020-07-23 |
| WO-2021156403-A1 | Cross-linked aliphatic polyketones | 2020-02-05 |
| WO-2021151850-A1 | Thermoplastic polyamide molding compositions that resist heat | 2020-01-27 |
| WO-2021115916-A1 | Suspension concentrate | 2019-12-13 |
