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CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester is a complex organic ester compound characterized by its molecular formula C19H22O6. It features a carbamic acid group, a 2-oxoethyl group, and a 2,2-dimethyl-4H-1,3-benzodioxin-6-yl group, all of which are integral to its chemical structure. CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester is utilized in various fields, including pharmaceuticals and research, due to its unique properties. However, it is crucial to exercise caution when handling this substance, as it may pose certain health and safety risks.

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  • Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

    Cas No: 452339-71-8

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  • CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester

    Cas No: 452339-71-8

  • USD $ 10.0-10.0 / Milligram

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  • 452339-71-8 Structure
  • Basic information

    1. Product Name: CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester
    2. Synonyms: CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester;tert-Butyl N-(2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl)carbamate;tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate;tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl;tert-Butyl (2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-oxoethyl)carbamate
    3. CAS NO:452339-71-8
    4. Molecular Formula: C17H23NO5
    5. Molecular Weight: 321.36822
    6. EINECS: N/A
    7. Product Categories: Intermediate
    8. Mol File: 452339-71-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 489.1±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.134±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 10.92±0.46(Predicted)
    10. CAS DataBase Reference: CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester(452339-71-8)
    12. EPA Substance Registry System: CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester(452339-71-8)
  • 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: 452339-71-8(Hazardous Substances Data)

452339-71-8 Usage

Uses

Used in Pharmaceutical Industry:
CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester is used as a pharmaceutical intermediate for the development of new drugs. Its unique chemical structure allows it to interact with biological targets, potentially leading to the discovery of novel therapeutic agents.
Used in Research Applications:
In the field of scientific research, this compound serves as a valuable tool for studying the properties and interactions of carbamic acid derivatives. It can be used to explore the reactivity, stability, and potential applications of related chemical compounds in various experimental settings.
Used in Industrial Applications:
CarbaMic acid, [2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester may also find use in other industrial applications, such as the development of new materials or the improvement of existing processes. Its specific role in these applications would depend on the requirements of the industry and the properties of the compound.

Check Digit Verification of cas no

The CAS Registry Mumber 452339-71-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,2,3,3 and 9 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 452339-71:
(8*4)+(7*5)+(6*2)+(5*3)+(4*3)+(3*9)+(2*7)+(1*1)=148
148 % 10 = 8
So 452339-71-8 is a valid CAS Registry Number.

452339-71-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate

1.2 Other means of identification

Product number -
Other names Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

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:452339-71-8 SDS

452339-71-8Relevant articles and documents

Preparation method for synthesizing vilanterol intermediate by catalysis with modified graphene

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Paragraph 0013-0015, (2019/11/21)

The invention discloses a method for synthesizing a vilanterol intermediate tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-carbonylethylcarbamate by catalysis with modified reduced graphene oxide with a high carboxylation edge, and belongs to the technical field of organic catalysis. The method utilizes an acidic catalytic reaction of the relatively large amount of carboxyl groups at the edge of reduced graphene oxide to overcome the disadvantage that an adopted organic strong acid is difficult to recover in the prior art, solve the problem of heterogeneous phase and difficult recyclingapplication of a catalyst, and reduce environmental protection pressure. The catalytic synthesis method adopting graphene is environmentally friendly, and meets requirements of modern green industrial production.

Method for synthesizing Vilanterol midbody by virtue of solid acid catalysis

-

Paragraph 0019; 0020; 0021; 0022; 0023; 0024, (2019/04/17)

The invention discloses a method for synthesizing Vilanterol midbody 2-(2,2-dimethyl-4H-1,3-benzodiazepine-6-group)-2-carbonyl ethyl carbamate tert-butyl ester (II) by virtue of solid acid catalysis,which belongs to the technical field of organic catalysis. According to the method, the solid acid is used to catalyze the synthesis of Vilanterol midbody (II),so that the defect in the prior art by adopting organic strong acid can be solved, the recycling of the catalyst is realized, and the pressure of environmental protection can be alleviated. The solid acid catalyzed synthesis route of the invention is environment-friendly and meets the requirements of modern pollution-free industrialized production.

Phenylethanolamine derivative and its preparation method and application

-

, (2017/10/07)

The invention relates to a phenylethanolamine derivative represented in the following formula 1. The phenylethanolamine derivative can serve as a beta 2 receptor agonist. The formula can be seen from the description.

PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF

-

, (2015/09/23)

An improved process for the preparation of vilanterol and pharmaceutically acceptable salts thereof is disclosed. More specifically the improved process for preparing intermediates for the preparation of vilanterol is disclosed.

PHENETHANOLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES

-

Page 43, (2010/02/06)

The present invention relates to novel compounds of formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES

-

Page 46, (2010/02/06)

The present invention relates to novel compounds of formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

Potassium trimethylsilanolate induced cleavage of 1,3-oxazolidin-2- and 5-ones, and application to the synthesis of (R)-salmeterol.

Coe, Diane M,Perciaccante, Rossana,Procopiou, Panayiotis A

, p. 1106 - 1111 (2007/10/03)

A convenient and efficient method for the cleavage of 1,3-oxazolidin-5-ones and 1,3-oxazolidin-2-ones utilising potassium trimethylsilanolate in tetrahydrofuran is described. The benzyloxycarbonyl-protecting group is readily removed under the reaction conditions, whereas the N-benzoyl group is stable. A synthesis of (R)-salmeterol exploiting the 2-oxazolidinone ring as a protecting group for the ethanolamine moiety is also described.

PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES

-

Page/Page column 46, (2010/02/07)

The present invention relates to novel compounds of formula (I),to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

PHENETHANOLAMINE DERIVATIVES

-

Page/Page column 38, (2010/02/07)

The present invention relates to novel compounds of formula (I), or a salt, solvate, or physiologically functional derivative thereof, to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

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