1-Hydroxycyclobutanecarboxylic acid

Base Information

• Chemical Name: 1-Hydroxycyclobutanecarboxylic acid
• CAS No.: 41248-13-9
• Molecular Formula: C5H8O3
• Molecular Weight: 116.117
• European Community (EC) Number: 812-007-3
• DSSTox Substance ID: DTXSID60449476
• Wikidata: Q82268951
• Mol file: 41248-13-9.mol

Synonyms:1-Hydroxycyclobutanecarboxylic acid;41248-13-9;1-hydroxycyclobutane-1-carboxylic Acid;1-Hydroxy-cyclobutanecarboxylic acid;MFCD08861856;Cyclobutanecarboxylic acid, 1-hydroxy-;SCHEMBL321733;1-hydroxycyclobutancarboxylic acid;1-HydroxycyclobutanecarboxylicAcid;DTXSID60449476;XCBNHDSVRQZWLH-UHFFFAOYSA-N;AMY23436;1-hydroxy-cyclobutane-carboxylic acid;AKOS009104197;PB48860;SY042594;TS-01603;CS-0052945;FT-0730019;EN300-52009;F50565;AB00983331-01;A929208;F8889-7443;Z220564366

Chemical Property of 1-Hydroxycyclobutanecarboxylic acid

Chemical Property:

• Melting Point: 68 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 120 °C
• PKA: 4.05±0.20(Predicted)
• PSA: 57.53000
• Density: 1.476±0.06 g/cm3(Predicted)
• LogP: -0.01400
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 116.047344113
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

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

1-HydroxycyclobutanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C(=O)O)O
• Uses: 1-Hydroxycyclobutanecarboxylic Acid is used in preparation of piperidines or piperidones substituted with urea and heteroaryl as FPR2 modulators.

Technology Process of 1-Hydroxycyclobutanecarboxylic acid

There total 10 articles about 1-Hydroxycyclobutanecarboxylic 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: 100.0%

Cyclobutanecarboxylic acid (3721-95-7) → 1-hydroxycyclobutane-1-carboxylic acid (41248-13-9)

Guidance literature:

Cyclobutanecarboxylic acid; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 18.5h;

With oxygen; In tetrahydrofuran; hexane; at 20 ℃; for 18h;

DOI:10.1016/S0040-4020(98)00448-7

Reference yield: 99.0%

1-hydroxycyclobutane-1-carbonitrile (55767-58-3) → 1-hydroxycyclobutane-1-carboxylic acid (41248-13-9)

Guidance literature:

With hydrogenchloride; In water; for 2.5h; Reflux;

Reference yield: 89.0%

cyclopentane-1,2-dione (3008-40-0) → 1-hydroxycyclobutane-1-carboxylic acid (41248-13-9)

Guidance literature:

cyclopentane-1,2-dione; With N-benzyl-trimethylammonium hydroxide; at 25 ℃; for 7h; Neat (no solvent);

With hydrogenchloride; In water; pH=2.6;

upstream raw materials:

cyclobutanone

hydrogen cyanide

α-bromocyclobutanecarboxylic acid

1-aminocyclobutane-1-carboxylic acid

Downstream raw materials:

C₂₀H₁₇NO₅

C₁₂H₁₅NO₃

C₃₃H₃₇N₅O₁₀S₂

C₂₆H₃₀N₈O₇S

Refernces

• 1、 -. "Anesthetic compounds and related methods of use". Page/Page column 63. . Retrieved 2015/11/09.
• 2、 -. "ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE". Paragraph 00194. . Retrieved 2013/07/25.