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253176-94-2

TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE is a specialized chemical compound frequently employed in the domain of organic synthesis. Characterized by its unique molecular structure that integrates a tertiary butyl group, an iodomethyl group, and an azetidine-1-carboxylate group, TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE serves as a crucial intermediate in pharmaceutical and chemical research. Its specific attributes, including physical properties, toxicity, and reactivity, are contingent upon a range of factors, yet it represents the sophisticated, customized molecules that are vital to contemporary chemical and pharmaceutical industries.

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  • 253176-94-2 Structure

  • Basic information

    1. Product Name: TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE
    2. Synonyms: TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE;1-Boc-3-(iodomethyl)azetidine;1-Boc-3-(iodomethyl)azeti...;N-Boc-3-(iodomethyl)azetidine
    3. CAS NO:253176-94-2
    4. Molecular Formula: C9H16INO2
    5. Molecular Weight: 297.14
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 253176-94-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.9±15.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.571±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: -2.17±0.40(Predicted)
    10. CAS DataBase Reference: TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE(253176-94-2)
    12. EPA Substance Registry System: TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE(253176-94-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 253176-94-2(Hazardous Substances Data)

253176-94-2 Usage

Uses

Used in Pharmaceutical Research:
TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE is used as a research intermediate for the development of new pharmaceutical compounds due to its unique structural features that can be manipulated to create novel drug candidates.
Used in Organic Synthesis:
In the field of organic synthesis, TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE is used as a key building block for the synthesis of complex organic molecules, leveraging its reactive groups to form new chemical entities with potential applications in various industries.
Used in Chemical Research:
TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE is utilized as a research tool in chemical laboratories to study reaction mechanisms, explore new synthetic pathways, and understand the reactivity of its constituent functional groups.
Used in the Development of Advanced Materials:
TERT-BUTYL 3-(IODOMETHYL)AZETIDINE-1-CARBOXYLATE may also be used in the development of advanced materials, such as polymers or specialty chemicals, where its unique structure can impart specific properties to the final product.

Check Digit Verification of cas no

The CAS Registry Mumber 253176-94-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,3,1,7 and 6 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 253176-94:
(8*2)+(7*5)+(6*3)+(5*1)+(4*7)+(3*6)+(2*9)+(1*4)=142
142 % 10 = 2
So 253176-94-2 is a valid CAS Registry Number.

253176-94-2 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Price
  • Detail

  • Alfa Aesar

  • (H57500)  1-Boc-3-(iodomethyl)azetidine, 95%   

  • 253176-94-2

  • 250mg

  • 911.0CNY

  • Detail

  • Alfa Aesar

  • (H57500)  1-Boc-3-(iodomethyl)azetidine, 95%   

  • 253176-94-2

  • 500mg

  • 1519.0CNY

  • Detail

253176-94-2SDS

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-Boc-3-(iodomethyl)azetidine

1.2 Other means of identification

Product number -
Other names tert-butyl 3-(iodomethyl)azetidine-1-carboxylate

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:253176-94-2 SDS

253176-94-2Relevant articles and documents

Stereospecific Synthesis of E-Alkenes through Anti-Markovnikov Hydroalkylation of Terminal Alkynes

Hazra, Avijit,Chen, Jason,Lalic, Gojko

supporting information, p. 12464 - 12469 (2019/08/20)

We have developed a method for stereospecific synthesis of E-alkenes from terminal alkynes and alkyl iodides. The hydroalkylation reaction is enabled by a cooperative action of copper and nickel catalysts and proceeds with excellent anti-Markovnikov selectivity. We demonstrate the broad scope of the reaction, which can be accomplished in the presence of esters, nitriles, aryl bromides, ethers, alkyl chlorides, anilines, and a wide range of nitrogen-containing heteroaromatic compounds. Mechanistic studies provide evidence that the copper catalyst activates the alkyne by hydrocupration, which controls both the regio- and diastereoselectivity of the overall reaction. The nickel catalyst activates the alkyl iodide and promotes cross coupling with the alkenyl copper intermediate.

PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION

-

Page/Page column 111, (2016/04/26)

The invention relates to a pharmaceutical composition for non-hormonal, on-demand contraception and to processes for preparing this pharmaceutical composition. The latter comprises 2H-indazole as novel EP2 receptor antagonists in combination with COX inhi

Beta lactam compounds and their use as inhibitors of tryptase

-

Page column 207, (2010/11/29)

Compounds of the formulas: are disclosed. These compounds inhibit tryptase as well as other enzyme systems or are selective tryptase inhibitors and are useful as antiinflammatory agents particularly in the treatment of chronic asthma.

Synthesis of potent and highly selective inhibitors of human tryptase

Slusarchyk, William A.,Bolton, Scott A.,Hartl, Karen S.,Huang, Ming-Hsing,Jacobs, Glenn,Meng, Wei,Ogletree, Martin L.,Pi, Zulan,Schumacher, William A.,Seiler, Steven M.,Sutton, James C.,Treuner, Uwe,Zahler, Robert,Zhao, Guohua,Bisacchi, Gregory S.

, p. 3235 - 3238 (2007/10/03)

The serine protease tryptase has been implicated in allergic and inflammatory diseases and associated with asthma. The synthesis and SAR of a series of N1-activated-4-carboxy azetidinones are described, resulting in identification of BMS-363131 (2) as a potent inhibitor of human tryptase (IC503000-fold) for tryptase versus related serine proteases including trypsin.

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