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
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
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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