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(2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER, also known as t-butoxycarbonyl-cychexylcarbamate, is a chemical compound characterized by its molecular formula C11H19NO3. It is a white solid with a molecular weight of 209.28 g/mol. (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER is recognized for its stability and its utility as a reagent in chemical reactions and a protecting group in organic synthesis, particularly in pharmaceutical research for the synthesis of various drugs.

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  • 291533-10-3 Structure
  • Basic information

    1. Product Name: (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
    2. Synonyms: 2-N-BOC-AMINO CYCLOHEXANONE;Carbamic acid, (2-oxocyclohexyl)-, 1,1-dimethylethyl ester (9CI);t-Butyl 2-oxocyclohexylcarbamate;Tert-butyl 2-oxocyclohexylcarbamate;tert-butyl N-(2-oxocyclohexyl)carbaMate
    3. CAS NO:291533-10-3
    4. Molecular Formula: C11H19NO3
    5. Molecular Weight: 213.27
    6. EINECS: N/A
    7. Product Categories: N-BOC;pharmacetical
    8. Mol File: 291533-10-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 335.9 °C at 760 mmHg
    3. Flash Point: 157 °C
    4. Appearance: /
    5. Density: 1.06 g/cm3
    6. Vapor Pressure: 0.000116mmHg at 25°C
    7. Refractive Index: 1.474
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 11.18±0.20(Predicted)
    11. CAS DataBase Reference: (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(291533-10-3)
    13. EPA Substance Registry System: (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER(291533-10-3)
  • 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: 291533-10-3(Hazardous Substances Data)

291533-10-3 Usage

Uses

Used in Chemical Synthesis:
(2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a reagent for its ability to participate in various chemical reactions, facilitating the formation of desired products in organic chemistry.
Used in Pharmaceutical Research:
In the pharmaceutical industry, (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a protecting group to shield specific functional groups during the synthesis of drugs, ensuring the integrity and reactivity of these groups until they are needed for subsequent reactions.
Used in Organic Chemistry:
(2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER is utilized in the field of organic chemistry for its versatility in protecting functional groups, which is crucial for the successful synthesis of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 291533-10-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,9,1,5,3 and 3 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 291533-10:
(8*2)+(7*9)+(6*1)+(5*5)+(4*3)+(3*3)+(2*1)+(1*0)=133
133 % 10 = 3
So 291533-10-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)

291533-10-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER

1.2 Other means of identification

Product number -
Other names Carbamic acid,(2-oxocyclohexyl)-,1,1-dimethylethyl ester (9CI)

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:291533-10-3 SDS

291533-10-3Relevant articles and documents

Discovery of novel hydantoins as selective non-hydroxamate inhibitors of tumor necrosis factor-α converting enzyme (TACE)

Sheppeck II, James E.,Gilmore, John L.,Yang, Anle,Chen, Xiao-Tao,Xue, Chu-Biao,Roderick, John,Liu, Rui-Qin,Covington, Maryanne B.,Decicco, Carl P.,Duan, James J.-W.

, p. 1413 - 1417 (2007/10/03)

A series of novel hydantoins was designed and synthesized as structural alternatives to hydroxamate inhibitors of TACE. 5-Mono- and di-substituted hydantoins exhibited activity with IC50 values of 11-60 nM against porcine TACE in vitro and excellent selectivity against other MMPs.

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