Cyclopentane-1,3-dicarboxylic acid

Base Information

• Chemical Name: Cyclopentane-1,3-dicarboxylic acid
• CAS No.: 4056-78-4
• Molecular Formula: C7H10 O4
• Molecular Weight: 158.154
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID40901709
• Nikkaji Number: J55.443J
• Mol file: 4056-78-4.mol

Synonyms:cyclopentane-1,3-dicarboxylic acid;4056-78-4;1,3-Cyclopentanedicarboxylic acid;Norcamphoric acid;MFCD01735467;1,3-Cyclopentanedicarboxylicacid;Cyclopentane-1,3-dicarboxylicAcid;SCHEMBL110580;YSCH0061;DTXSID40901709;HMS1659P09;1,3-Cyclopentane dicarboxylic acid;BCP10069;ZB1688;AKOS002231961;AKOS016303527;AB86402;CS-W002823;PB42773;SB45468;AM803857;AS-18351;LS-57945;SY030198;SY197264;FT-0698391;VU0510882-1;EN300-116552;F3161-0242;Z274502046

Chemical Property of Cyclopentane-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 6.51E-05mmHg at 25°C
• Melting Point: 121.5 °C
• Boiling Point: 320.7°Cat760mmHg
• PKA: 4.23±0.40(Predicted)
• Flash Point: 161.9°C
• PSA: 74.60000
• Density: 1.396g/cm³
• LogP: 0.57190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• 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:

98%min ^*data from raw suppliers

Cyclopentane-?1,?3-?dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC1C(=O)O)C(=O)O
• Uses: Cyclopentane-?1,?3-?dicarboxylic Acid is used in the study of ruthenium-?catalyzed oxidation of alkenes and monoenic fatty acids.

Technology Process of Cyclopentane-1,3-dicarboxylic acid

There total 6 articles about Cyclopentane-1,3-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: 93.0%

norborn-2-ene (498-66-8) → cyclopentane-1,3-dicarboxylic acid (4056-78-4,826-02-8)

Guidance literature:

With sodium periodate; ruthenium trichloride; In water; ethyl acetate; acetonitrile; for 0.5h;

DOI:10.1016/j.tetlet.2005.03.052

Reference yield:

Norbornan-2-on (497-38-1) → cyclopentane-1,3-dicarboxylic acid (4056-78-4,826-02-8)

Guidance literature:

Multi-step reaction with 3 steps

1: liq. NH₃

2: P₂O₅ / benzene / Heating

3: KMnO₄, aq. KOH

With potassium hydroxide; potassium permanganate; ammonia; phosphorus pentoxide; In benzene;

Reference yield:

2-ethynylbicyclo[2.2.1]heptan-2-ol (18084-03-2) → cyclopentane-1,3-dicarboxylic acid (4056-78-4,826-02-8)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂O₅ / benzene / Heating

2: KMnO₄, aq. KOH

With potassium hydroxide; potassium permanganate; phosphorus pentoxide; In benzene;

upstream raw materials:

norborn-2-ene

tricyclo<5.2.1.0².⁶>dec-2(6)-ene

(Bicyclo<2.2.1>hept-2-en-2-yl)-1-ethanon

Norbornan-2-on

Downstream raw materials:

cyclopentane?1,3?dimethyl formate

1,3-dimethylcyclopentane

4-iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

4-iodo-N-(2-(4-(2-hydroxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

Refernces

• 1、 -. "Polycyclic amide derivative as CDK9 inhibitor, and preparation method and application thereof". Paragraph 0265-0269. . Retrieved 2021/07/24.
• 2、 Alimardanov, Kh. M.,Sadygov,Garibov,Abbasov,Abdullaeva, M. Ya.,Dzhafarova. "Liquid-phase catalytic oxidation of C6-C7 cycloolefins into carboxylic acids in a pseudohomogeneous system". experimental part. p. 236 - 242. Retrieved 2011/06/09.