2-Hydroxycyclopentaneheptanoic acid

Base Information

• Chemical Name: 2-Hydroxycyclopentaneheptanoic acid
• CAS No.: 51876-14-3
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.305
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID90966207
• Mol file: 51876-14-3.mol

Synonyms:2-Hydroxycyclopentaneheptanoic acid;51876-14-3;Cyclopentaneheptanoic acid, 2-hydroxy-;7-(2-hydroxycyclopentyl)heptanoic acid;DTXSID90966207;LS-58014

Chemical Property of 2-Hydroxycyclopentaneheptanoic acid

Chemical Property:

• Vapor Pressure: 5.16E-07mmHg at 25°C
• Boiling Point: 370.9°C at 760 mmHg
• Flash Point: 192.3°C
• PSA: 57.53000
• Density: 1.069g/cm³
• LogP: 2.57260
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

7-(2-HYDROXYCYCLOPENTYL)HEPTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(C1)O)CCCCCCC(=O)O

Technology Process of 2-Hydroxycyclopentaneheptanoic acid

There total 12 articles about 2-Hydroxycyclopentaneheptanoic 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:

4-hydroxydodecanedioic acid γ-lactone (53279-37-1) → 7-(2-Hydroxy-cyclopentyl)-heptanoic acid (51876-14-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 70 percent / polyphosphoric acid / 2.5 h / 100 °C

2: 22.5 g / 15percent methanolic HCl / 30 h / Ambient temperature

3: 9.62 g / NaBH₄ / methanol / 2 h / Ambient temperature

4: 9.8 g / pyridine

5: 7.8 g / NaOH/85percent aq. MeOH / 2.5 h / Heating

With pyridine; hydrogenchloride; methanol; sodium hydroxide; sodium tetrahydroborate; PPA; In methanol;

Reference yield:

10-undecenoic acid (112-38-9) → 7-(2-Hydroxy-cyclopentyl)-heptanoic acid (51876-14-3)

Guidance literature:

Multi-step reaction with 11 steps

1: 1.) H₂SO₄, H₂O₂ (28percent w/v), 2.) NaOH / 1.) 40 deg C, 8 h, 2.) MeOH, water, reflux, 5 h

2: 52.5 g / 5percent methanolic HCl / 48 h / Ambient temperature

3: 38 g / NaIO₄ / ethanol; H₂O / 1 h / 35 °C

4: 101 g / pyridine / 1.) RT, 24 h, 2.) reflux, 4 h

5: 40 g / 10percent aq. NaOH / 4 h / Heating

6: 55 percent / 60percent H₂SO₄ / 2.5 h / 130 °C

7: 70 percent / polyphosphoric acid / 2.5 h / 100 °C

8: 22.5 g / 15percent methanolic HCl / 30 h / Ambient temperature

9: 9.62 g / NaBH₄ / methanol / 2 h / Ambient temperature

10: 9.8 g / pyridine

11: 7.8 g / NaOH/85percent aq. MeOH / 2.5 h / Heating

With pyridine; hydrogenchloride; methanol; sodium hydroxide; sodium tetrahydroborate; sodium periodate; PPA; sulfuric acid; dihydrogen peroxide; In methanol; ethanol; water;

Reference yield:

10-oxo-decanoic acid methyl ester (14811-73-5) → 7-(2-Hydroxy-cyclopentyl)-heptanoic acid (51876-14-3)

Guidance literature:

Multi-step reaction with 8 steps

1: 101 g / pyridine / 1.) RT, 24 h, 2.) reflux, 4 h

2: 40 g / 10percent aq. NaOH / 4 h / Heating

3: 55 percent / 60percent H₂SO₄ / 2.5 h / 130 °C

4: 70 percent / polyphosphoric acid / 2.5 h / 100 °C

5: 22.5 g / 15percent methanolic HCl / 30 h / Ambient temperature

6: 9.62 g / NaBH₄ / methanol / 2 h / Ambient temperature

7: 9.8 g / pyridine

8: 7.8 g / NaOH/85percent aq. MeOH / 2.5 h / Heating

With pyridine; hydrogenchloride; methanol; sodium hydroxide; sodium tetrahydroborate; PPA; sulfuric acid; In methanol;

upstream raw materials:

7-(2-Acetoxy-cyclopentyl)-heptanoic acid methyl ester

4-hydroxydodecanedioic acid γ-lactone

10-undecenoic acid

10-oxo-decanoic acid methyl ester

Downstream raw materials:

2-(6-methoxycarbonylhexyl)cyclopent-2-en-1-one

7-(5-oxo-1-cyclopenten-1-yl)heptanoic acid

2-(6-carboxyhexyl)cyclopentanone

Refernces