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18085-40-0

1-Benzyl-azetidine-2-carboxylic acid is a chemical compound belonging to the azetidine carboxylic acid class. It is recognized for its unique properties in medicinal chemistry, such as its role as a chiral auxiliary in asymmetric synthesis and its potential as a ligand in metal-catalyzed reactions. 1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID also holds promise for its anti-inflammatory and anti-cancer properties, positioning it as a valuable building block in the pharmaceutical industry for the development of therapeutic drugs.

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  • 18085-40-0 Structure

  • Basic information

    1. Product Name: 1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID
    2. Synonyms: AKOS MSC-0119;1-BENZYL-2-AZETIDINECARBOXYLIC ACID;1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID;1-(phenylmethyl)azetidine-2-carboxylic acid;2-Azetidinecarboxylic acid, 1-(phenylmethyl)-;1-Benzyl-DL-azetidine-2-carboxylic acid;1-Benzylazetane-2-carboxylic acid
    3. CAS NO:18085-40-0
    4. Molecular Formula: C11H13NO2
    5. Molecular Weight: 191.23
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 18085-40-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 327.537 °C at 760 mmHg
    3. Flash Point: 151.889 °C
    4. Appearance: /
    5. Density: 1.253 g/cm3
    6. Vapor Pressure: 17.2mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID(18085-40-0)
    12. EPA Substance Registry System: 1-BENZYL-AZETIDINE-2-CARBOXYLIC ACID(18085-40-0)

  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22-36-43
    3. Safety Statements: 26-36/37
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 18085-40-0(Hazardous Substances Data)

18085-40-0 Usage

Uses

Used in Pharmaceutical Industry:
1-Benzyl-azetidine-2-carboxylic acid is used as a building block for the synthesis of various drugs due to its potential for therapeutic applications. Its structural and functional characteristics make it a versatile component in the creation of new medicinal compounds.
Used in Medicinal Chemistry Research:
1-Benzyl-azetidine-2-carboxylic acid is used as a chiral auxiliary in asymmetric synthesis, which is crucial for the production of enantiomerically pure compounds. This application is vital in the development of drugs with specific biological activities, as the stereochemistry of a molecule can significantly influence its pharmacological properties.
Used in Metal-Catalyzed Reactions:
As a potential ligand in metal-catalyzed reactions, 1-benzyl-azetidine-2-carboxylic acid contributes to the advancement of synthetic methodologies, enabling more efficient and selective chemical transformations that are essential in the synthesis of complex bioactive molecules.
Used in Anti-Inflammatory and Anti-Cancer Drug Development:
1-Benzyl-azetidine-2-carboxylic acid is studied for its anti-inflammatory and anti-cancer properties, making it a promising candidate for the development of new drugs targeting these conditions. Its potential to modulate biological pathways involved in inflammation and cancer progression underscores its value in pharmaceutical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 18085-40-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,0,8 and 5 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 18085-40:
(7*1)+(6*8)+(5*0)+(4*8)+(3*5)+(2*4)+(1*0)=110
110 % 10 = 0
So 18085-40-0 is a valid CAS Registry Number.
InChI:InChI=1/C4H10O2Si/c1-3(2)4(5)6-7/h3H,1-2,7H3

18085-40-0SDS

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-benzylazetidine-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-benzyl-azetidine-2-carboxylic acid

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:18085-40-0 SDS

18085-40-0Relevant articles and documents

Simple azetidine N-oxides: Synthesis, structure and reactivity

O'Neil, Ian A.,Potter, Andrew J.

, p. 1487 - 1488 (2007/10/03)

The preparation of two stable azetidine N-oxides is described; one structure was confirmed by X-ray crystallography and the second was found to undergo a quantitative ring expansion to yield a new 6-hydroxy tetrahydro1,2-oxazine, a potentially useful reag

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