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(AZETIDIN-3-YL)METHANOL, also known as 3-Hydroxymethyl-azetidine, is a chemical compound characterized by its unique four-membered nitrogen-containing heterocycle structure with a hydroxymethyl group attached to the nitrogen atom. With the molecular formula C5H11NO, this versatile compound plays a significant role in the synthesis of pharmaceuticals, agrochemicals, and other complex organic molecules, making it a valuable asset in the fields of medicinal chemistry and drug discovery.

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  • 95849-02-8 Structure
  • Basic information

    1. Product Name: (AZETIDIN-3-YL)METHANOL
    2. Synonyms: (AZETIDIN-3-YL)METHANOL;3-(Hydroxymethyl)azetidine;3-(Hydroxymethyl)azetidin...;3-AzetidineMethanol;azetidine-3-yl Methanol
    3. CAS NO:95849-02-8
    4. Molecular Formula: C4H9NO
    5. Molecular Weight: 87.12036
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 95849-02-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 154℃
    3. Flash Point: 86℃
    4. Appearance: /
    5. Density: 1.017
    6. Vapor Pressure: 1.207mmHg at 25°C
    7. Refractive Index: 1.459
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 14.82±0.10(Predicted)
    11. CAS DataBase Reference: (AZETIDIN-3-YL)METHANOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: (AZETIDIN-3-YL)METHANOL(95849-02-8)
    13. EPA Substance Registry System: (AZETIDIN-3-YL)METHANOL(95849-02-8)
  • 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: 95849-02-8(Hazardous Substances Data)

95849-02-8 Usage

Uses

Used in Pharmaceutical Industry:
(AZETIDIN-3-YL)METHANOL is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs. Its unique structure allows for the creation of molecules with specific therapeutic properties, enhancing the effectiveness of medications and contributing to advancements in healthcare.
Used in Agrochemical Industry:
(AZETIDIN-3-YL)METHANOL is utilized as a building block in the production of agrochemicals, specifically for its role in the synthesis of compounds that can improve crop protection and yield. Its incorporation into agrochemical formulations can lead to the development of more effective and targeted pest control solutions.
Used in Organic Chemistry:
(AZETIDIN-3-YL)METHANOL serves as a key component in organic chemistry for the production of complex molecules. Its four-membered ring structure and hydroxymethyl group provide a foundation for the construction of a wide range of organic compounds, facilitating innovative research and the discovery of new chemical entities.
Used in Medicinal Chemistry and Drug Discovery:
(AZETIDIN-3-YL)METHANOL is employed as a crucial chemical in medicinal chemistry and drug discovery due to its potential applications in the development of novel drugs. Its unique structural features make it an ideal candidate for the design and synthesis of molecules with specific biological activities, driving the creation of new therapeutic agents to address various medical conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 95849-02-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,8,4 and 9 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 95849-02:
(7*9)+(6*5)+(5*8)+(4*4)+(3*9)+(2*0)+(1*2)=178
178 % 10 = 8
So 95849-02-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2

95849-02-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Azetidin-3-ylmethanol

1.2 Other means of identification

Product number -
Other names AZETIDINE-3-YL METHANOL

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:95849-02-8 SDS

95849-02-8Relevant articles and documents

Discovery of phenylpyrrolidine derivatives as a novel class of retinol binding protein 4 (RBP4) reducers

Akao, Yuichiro,Cho, Nobuo,Furuyama, Naoki,Goto, Akihiko,Kamaura, Masahiro,Kasai, Shizuo,Mizukami, Atsushi,Nakamura, Natsuko,Nakamura, Shinji

supporting information, (2021/12/30)

Retinol-binding protein 4 (RBP4) is a potential drug target for metabolic and ophthalmologic diseases. A high-throughput screening of our compound library has identified a small-molecule RBP4 reducer 7a, as a hit compound. Aiming to provide a suitable too

Tetrahydrochromenoimidazoles as potassium-competitive acid blockers (P-CABs): Structure-activity relationship of their antisecretory properties and their affinity toward the hERG channel

Palmer, Andreas M.,Chiesa, Vittoria,Schmid, Anja,Münch, Gabriela,Grobbel, Burkhard,Zimmermann, Peter J.,Brehm, Christof,Buhr, Wilm,Simon, Wolfgang-Alexander,Kromer, Wolfgang,Postius, Stefan,Volz, Jürgen,Hess, Dietmar

supporting information; experimental part, p. 3645 - 3674 (2010/07/05)

Potassium-competitive acid blockers (P-CABs) constitute a new therapeutic option for the treatment of acid-related diseases that are widespread and constitute a significant economical burden. Enantiomerically pure tetrahydrochromenoimidazoles were prepared using the readily available candidate 4 (BYK 405879) as starting material or the Noyori asymmetric reduction of ketones as key reaction. A comprehensive SAR regarding the influence of the 5-carboxamide and the 8-aryl residue on in vitro activity, acid-suppression in the Ghosh Schild rat, and affinity toward the hERG channel was established. In addition, efficacy and duration of the antisecretory action was examined for the most promising target compounds by 24 h pH-metry in the fistula dog and a significantly different SAR was observed as compared to the Ghosh Schild rat. Several tetrahydrochromenoimidazoles were identified that possessed a comparable profile as the candidate 4.

Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases

Evans, Gary B.,Furneaux, Richard H.,Greatrex, Ben,Murkin, Andrew S.,Schramm, Vern L.,Tyler, Peter C.

, p. 948 - 956 (2008/09/19)

N-Ribosyl phosphorylases and hydrolases catalyze nucleophilic displacement reactions by migration of the cationic ribooxacarbenium carbon from the fixed purine to phosphate and water nucleophiles, respectively. As the lysis reaction progresses along the r

ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES

-

Page/Page column 78-79, (2008/12/08)

The invention provides compounds of the formula (1) in which the substituents and symbols are as de fined in the description. The compounds inhibit the secretion of gastric acid.

Indolobenzazepine HCV NS5B inhibitors

-

Page/Page column 278, (2008/06/13)

The invention encompasses compounds and salts of Formulas I, II, III, and IV as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and are useful in treating those infected with HCV.

CB1 MODULATOR COMPOUNDS

-

Page/Page column 162-163, (2008/06/13)

Novel compounds of structural formula (I) are disclosed. As modulators of the Cannabinoid-1 (CB1) receptor, these compounds are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. As such, compounds of the present invention are useful as in the treatment, prevention and suppression of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders (e.g., multiple sclerosis, Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis), cerebral vascular accidents, head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, particularly to opiates, alcohol, and nicotine. The compounds are also useful for the treatment of obesity or eating disorders associated with excessive food intake and complications associated therewith.

Triazine derivative and medicine

-

, (2008/06/13)

The invention relates to a medicinal composition comprising a triazine derivative of the following general formula ?I! STR1 or a solvate thereof, or a salt thereof, as an active ingredient. In the above formula, R1 and R2 may be the

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