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1-Hydroxy-cyclobutanecarboxylic acid is an organic compound with the molecular formula C5H6O3. It is a key intermediate in the synthesis of various pharmaceutical compounds and has been identified for its potential applications in the development of novel drugs.

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  • 41248-13-9 Structure
  • Basic information

    1. Product Name: 1-Hydroxy-cyclobutanecarboxylic acid
    2. Synonyms: 1-Hydroxy-cyclobutanecarboxylic acid;1-hydroxycyclobutane-1-carboxylicacid
    3. CAS NO:41248-13-9
    4. Molecular Formula: C5H8O3
    5. Molecular Weight: 116.11522
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 41248-13-9.mol
  • Chemical Properties

    1. Melting Point: 68 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
    2. Boiling Point: 120 °C
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.476±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 4.05±0.20(Predicted)
    10. CAS DataBase Reference: 1-Hydroxy-cyclobutanecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Hydroxy-cyclobutanecarboxylic acid(41248-13-9)
    12. EPA Substance Registry System: 1-Hydroxy-cyclobutanecarboxylic acid(41248-13-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 41248-13-9(Hazardous Substances Data)

41248-13-9 Usage

Uses

Used in Pharmaceutical Industry:
1-Hydroxy-cyclobutanecarboxylic acid is used as a key intermediate in the synthesis of piperidines or piperidones substituted with urea and heteroaryl as FPR2 modulators. These FPR2 modulators have potential therapeutic applications in treating various medical conditions, such as inflammatory diseases and metabolic disorders, by modulating the activity of the formyl peptide receptor 2 (FPR2).

Physical Form

Solid

Check Digit Verification of cas no

The CAS Registry Mumber 41248-13-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,2,4 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 41248-13:
(7*4)+(6*1)+(5*2)+(4*4)+(3*8)+(2*1)+(1*3)=89
89 % 10 = 9
So 41248-13-9 is a valid CAS Registry Number.

41248-13-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-hydroxycyclobutane-1-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-Hydroxy-cyclobutancarbonsaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:41248-13-9 SDS

41248-13-9Relevant articles and documents

Anesthetic compounds and related methods of use

-

Page/Page column 63, (2015/11/09)

Provided herein are compounds according to formula (I): Provided herein is also a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier, and a method for providing anesthesia in a subject by administering such a pharmaceutical composition.

Pyridone-conjugated monobactam antibiotics with gram-negative activity

Brown, Matthew F.,Mitton-Fry, Mark J.,Arcari, Joel T.,Barham, Rose,Casavant, Jeffrey,Gerstenberger, Brian S.,Han, Seungil,Hardink, Joel R.,Harris, Thomas M.,Hoang, Thuy,Huband, Michael D.,Lall, Manjinder S.,Lemmon, M. Megan,Li, Chao,Lin, Jian,McCurdy, Sandra P.,McElroy, Eric,McPherson, Craig,Marr, Eric S.,Mueller, John P.,Mullins, Lisa,Nikitenko, Antonia A.,Noe, Mark C.,Penzien, Joseph,Plummer, Mark S.,Schuff, Brandon P.,Shanmugasundaram, Veerabahu,Starr, Jeremy T.,Sun, Jianmin,Tomaras, Andrew,Young, Jennifer A.,Zaniewski, Richard P.

supporting information, p. 5541 - 5552 (2013/07/26)

Herein we describe the structure-aided design and synthesis of a series of pyridone-conjugated monobactam analogues with in vitro antibacterial activity against clinically relevant Gram-negative species including Pseudomonas aeruginosa, Klebsiella pneumoniae, and Escherichia coli. Rat pharmacokinetic studies with compound 17 demonstrate low clearance and low plasma protein binding. In addition, evidence is provided for a number of analogues suggesting that the siderophore receptors PiuA and PirA play a role in drug uptake in P. aeruginosa strain PAO1.

ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE

-

Paragraph 00194, (2013/07/25)

Provided herein are compounds according to formula (I): Provided herein is also a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier, and a method for providing anesthesia in a subject by administering such a pharmaceutical composition.

MONOBACTAMS

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Page/Page column 120-121, (2012/06/16)

The present invention is directed to a new class of monobactam derivatives and their use for treating bacterial infections.

PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZILIC ACID FROM SUBSTITUTED BENZILS

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Page/Page column 3, (2010/10/19)

The classical process for the rearrangement of substituted benzil to benzilic acid is performed in the presence of sodium or potassium hydroxide as a base using ethanol-ether as a medium. The reaction requires reflux temperature for complete conversion. However, these bases containing metallic ions and generate metallic containing effluent waste which may require additional expenditure for treatment. Moreover, because of corrosive nature of base, and use of flammable solvent, the safety measures are needed during large scale production. Another method also reported for benzilic acid rearrangement at 380° C. which is practically not feasible. The present invention describes the use of quaternary ammonium hydroxides as a base for the rearrangement of the substituted benzils to benzilc acids. It also avoids the use of solvent and reaction can be carried out at relatively lower temperatures. Because of the solvent free reaction condition it reduces the mass/volume of reaction mixture.

(DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES

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Page/Page column 42, (2009/10/09)

The invention relates to 5,6 - dihydropyrrolo [2,1-a] isoquinoline and pyrrolo[2,1-a] isoquinoline derivatives according to general formula (I) or a pharmaceutically acceptable salt thereof. The compounds can be used for the treatment of infertility.

Regioselective synthesis of α,α-dialkylcyclopentanones from 1-hydroxycyclobutanecarboxylic acid or from O-protected cyclobutanone cyanohydrin

Estieu, Karine,Ollivier, Jean,Salauen, Jacques

, p. 8075 - 8090 (2007/10/03)

1-(1-Hydroxyalkyl)cyclobutanols 4a-f, readily available either from 1-hydroxycyclobutane carboxylic acid or from O-protected cyclobutanone cyanohydrin, appeared the most suitable precursors for a regioselective synthesis of cyclopentanones α,α- disubstituted with various similar or different alkyl, alkenyl, aryl or cycloalkyl groups. The key steps consist of acid or Grignard reagent induced C4→C5 ring expansions.

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