trans-4-Hydroxycyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Hydroxycyclohexanecarboxylic acid
• CAS No.: 17419-81-7
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• Hs Code.: 2918199090
• European Community (EC) Number: 680-039-3,680-048-2,680-094-3
• DSSTox Substance ID: DTXSID30190327,DTXSID901015736
• Nikkaji Number: J734.228D,J2.912.245H,J2.638.839B
• Wikidata: Q27161527,Q27102091
• Metabolomics Workbench ID: 37966
• Mol file: 17419-81-7.mol

Synonyms:4-HCHC;4-hydroxycyclohexanecarboxylic acid

Chemical Property of trans-4-Hydroxycyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.47E-05mmHg at 25°C
• Melting Point: 120 °C
• Refractive Index: 1.523
• Boiling Point: 307.898 °C at 760 mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 154.234 °C
• PSA: 57.53000
• Density: 1.246 g/cm³
• LogP: 0.62210
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in Methanol
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-HydroxycyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)O)O
• Uses: 4-hydroxycyclohexanecarboxylic acid be used as organic intermediates.

Technology Process of trans-4-Hydroxycyclohexanecarboxylic acid

There total 23 articles about trans-4-Hydroxycyclohexanecarboxylic 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: 98.0%

4-hydroxy-benzoic acid (99-96-7) → 4-hydroxycyclohexanecarboxylic acid (3685-22-1,3685-26-5,17419-81-7)

Guidance literature:

With Rh/Al₂O₃; hydrogen; In methanol; at 20 ℃;

DOI:10.2298/JSC150430063O

Reference yield: 96.0%

ethyl (1s,4s)-4-hydroxycyclohexanecarboxylate (75877-66-6) → cis-4-hydroxycyclohexanecarboxylic acid (3685-26-5,17419-81-7,3685-22-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 7h;

DOI:10.1016/j.chempr.2019.03.010

Reference yield: 90.0%

methyl 4-hydroxycyclohexanecarboxylate (3618-03-9,6125-57-1,17449-76-2) → 4-hydroxycyclohexanecarboxylic acid (3685-22-1,3685-26-5,17419-81-7)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃; Cooling with ice;

upstream raw materials:

4-oxocyclohexanecarboxylic acid

4-hydroxy-benzoic acid

4-hydroxycyclohexyl carboxylic acid ethyl ester

water

Downstream raw materials:

2-oxa-bicyclo[2.2.2]octan-3-one

4-heptyloxycyclohexane carboxylic acid

benzyl 4-hydroxycyclohexane-1-carboxylate

methyl 4-hydroxycyclohexanecarboxylate

Refernces

• 1、 Batzer,Fritz. "-". . p. 179,209. Retrieved 1954.
• 2、 -. "DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY". Paragraph 1087; 1088. . Retrieved 2017/02/28.
• 3、 -. "A method for synthesizing metabolite pqt (by machine translation)". Paragraph 0029; 0031. . Retrieved 2017/01/02.