trans-Cyclopentane-1,2-dicarboxylic acid

Base Information

• Chemical Name: trans-Cyclopentane-1,2-dicarboxylic acid
• CAS No.: 1461-97-8
• Molecular Formula: C₇H₁₀O₄
• Molecular Weight: 158.154
• Hs Code.: 2917200090
• European Community (EC) Number: 215-962-9
• DSSTox Substance ID: DTXSID20883675
• Nikkaji Number: J82.596D
• Wikidata: Q72460305
• Mol file: 1461-97-8.mol

Synonyms:1461-97-8;trans-Cyclopentane-1,2-dicarboxylic acid;trans-1,2-Cyclopentanedicarboxylic acid;trans-DL-1,2-Cyclopentanedicarboxylic acid;(1r,2r)-cyclopentane-1,2-dicarboxylic acid;1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-;trans-DL-Cyclopentane-1,2-dicarboxylic acid;17224-73-6;1,2-cyclopentane dicarboxylic acid;MFCD00001376;(1R,2R)-1beta,2alpha-Cyclopentanedicarboxylic acid;EINECS 215-962-9;SCHEMBL152715;DTXSID20883675;AMY37190;AKOS004908931;trans-Cyclopentane-1,2-dicarboxylicacid;1beta,2alpha-Cyclopentanedicarboxylic acid;BP-21463;DS-17747;1,2-Cyclopentanedicarboxylic acid, trans-;(trans)-cyclopentane-1,2-dicarboxylic acid;(+)-1,2-trans-cyclopentanedicarboxylic acid;(1R,2R)-1,2-Cyclopentanedicarboxylic acid;EN300-399747;F14821;trans-(+/-)-1,2-cyclopentanedicarboxylic acid;rac-(1R,2R)-cyclopentane-1,2-dicarboxylic acid;racemic 1,2-trans-cyclopentane dicarboxylic acid;A808468;trans-DL-1,2-Cyclopentanedicarboxylic acid, 98%;W-205633

Chemical Property of trans-Cyclopentane-1,2-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 8.88E-07mmHg at 25°C
• Melting Point: 163-165 °C(lit.)
• Refractive Index: 1.535
• Boiling Point: 378.598 °C at 760 mmHg
• PKA: pK1:3.96;pK2:5.85 (25°C)
• Flash Point: 196.945 °C
• PSA: 74.60000
• Density: 1.397 g/cm³
• LogP: 0.57190
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO; Methanol
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

trans-1,2-CyclopentanedicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(C1)C(=O)O)C(=O)O
• Isomeric SMILES: C1C[C@H]([C@@H](C1)C(=O)O)C(=O)O
• Uses: trans-1,2-Cyclopentanedicarboxylic Acid 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.

Technology Process of trans-Cyclopentane-1,2-dicarboxylic acid

There total 1 articles about trans-Cyclopentane-1,2-dicarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

opt.akt.-6,10-Dithiaspiro<4.5>decan-2,3-trans-dicarbonsaeure-dimethylester → Cyclopentan-1,2-trans-dicarbonsaeure (1461-96-7,1461-97-8,17224-73-6,21917-20-4,50483-99-3,80656-14-0)

Guidance literature:

Multistep reaction; (i) Raney-Ni, (ii) aq. NaOH;

DOI:10.1002/hlca.19680510815

Reference yield:

Cyclopentan-1,2-trans-dicarbonsaeure (1461-96-7,1461-97-8,17224-73-6,21917-20-4,50483-99-3,80656-14-0) → Cyclopentan-1.2-trans-diamin (3145-88-8,40535-43-1,40535-44-2,40535-45-3,41330-23-8,77255-03-9)

Guidance literature:

With sodium azide; PPA;

DOI:10.1002/hlca.19680510815

Downstream raw materials:

Cyclopentan-1.2-trans-diamin

Refernces