3-Hydroxycyclohexanecarboxylic acid

Base Information

• Chemical Name: 3-Hydroxycyclohexanecarboxylic acid
• CAS No.: 606488-94-2
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• Hs Code.: 2918199090
• European Community (EC) Number: 805-846-1
• DSSTox Substance ID: DTXSID10413642,DTXSID40901229
• Nikkaji Number: J2.408.167B
• Mol file: 606488-94-2.mol

Synonyms:3-Hydroxycyclohexanecarboxylic acid;606488-94-2;3-hydroxycyclohexane-1-carboxylic Acid;Cyclohexanecarboxylic acid, 3-hydroxy-;MFCD19228828;cis-3-hydroxycyclohexanecarboxylic acid;22267-35-2;MFCD19228123;MFCD19228335;MFCD19228643;NoName_316;SCHEMBL2183635;3-Hydroxycyclohexanecarboxylicacid;DTXSID10413642;DTXSID40901229;JBZDHFKPEDWWJC-UHFFFAOYSA-N;AM9713;ZB1697;Cyclohexanecarboxylic acid,3-hydroxy-;AKOS006378631;AB86139;AB86420;DS-8469;PB41895;PB41990;SB40877;SY043163;SY270308;SY279547;SY344584;CS-0155422;FT-0707967;H1408;EN300-151572;F30240;A924033;Z1205494896

Chemical Property of 3-Hydroxycyclohexanecarboxylic acid

Chemical Property:

• Melting Point: 130-132 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 307.9±35.0 °C(Predicted)
• PKA: 4.71±0.13(Predicted)
• PSA: 57.53000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 0.62210
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 133

Purity/Quality:

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

3-Hydroxycyclohexane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxycyclohexanecarboxylic acid

There total 3 articles about 3-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: 92.0%

hydroxy-3 cyclohexane carboxylate d'ethyle (94160-25-5) → 3-hydroxycyclohexane-1-carboxylic acid (606488-94-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.7b01351

Reference yield:

Cyclohexanecarboxylic acid (98-89-5) → 1-hydroxy-cyclohexanecarboxylic acid (1123-28-0) + 4-oxocyclohexanecarboxylic acid (874-61-3) + Salicylic acid (609-69-8) + trans-4-hydroxycyclohexanecarboxylic acid (3685-26-5) + cis-4-hydroxycyclohexanecarboxylic acid (3685-26-5,17419-81-7,3685-22-1) + 3-hydroxycyclohexane-1-carboxylic acid (606488-94-2)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; for 1h; pH=9; UV-irradiation;

DOI:10.1021/jp105727s

Reference yield:

3-Carboxyphenol (99-06-9) → 3-hydroxycyclohexane-1-carboxylic acid (606488-94-2)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In methanol; at 25 ℃; for 24h; under 2585.7 Torr;

DOI:10.1021/jo00362a012

upstream raw materials:

3-Carboxyphenol

Cyclohexanecarboxylic acid

hydroxy-3 cyclohexane carboxylate d'ethyle

Downstream raw materials:

3,5-diethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3,5-dicarboxylate

Refernces

• 1、 -. "IRAK INHIBITORS AND USES THEREOF". Paragraph 00280-00281. . Retrieved 2014/02/15.
• 2、 -. "DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES". Page/Page column 23. . Retrieved 2011/12/04.