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(R)-tert-butyl 2-oxoazepan-3-ylcarbaMate, a carbaMate derivative with the molecular formula C12H21NO3, is a chemical compound featuring a tertiary butyl group and a 2-oxoazepan-3-yl functional group. It is recognized for its unique chemical properties and potential applications in the development of new drugs and pharmaceuticals. Its structure and reactivity contribute to its value in studying reaction mechanisms and drug design.

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  • 106691-72-9 Structure
  • Basic information

    1. Product Name: (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate
    2. Synonyms: (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate;CarbaMic acid, N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-diMethylethyl ester;tert-Butyl ((3R)-2-oxoazepan-3-yl)carbamate
    3. CAS NO:106691-72-9
    4. Molecular Formula: C11H20N2O3
    5. Molecular Weight: 228
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 106691-72-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate(106691-72-9)
    11. EPA Substance Registry System: (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate(106691-72-9)
  • 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: 106691-72-9(Hazardous Substances Data)

106691-72-9 Usage

Uses

Used in Organic Synthesis:
(R)-tert-butyl 2-oxoazepan-3-ylcarbaMate is used as a key intermediate in organic synthesis for its ability to facilitate the formation of complex organic molecules, enhancing the efficiency and selectivity of chemical reactions.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate is utilized as a building block for the development of novel pharmaceuticals, leveraging its unique structural features to create new therapeutic agents.
Used in Drug Development:
(R)-tert-butyl 2-oxoazepan-3-ylcarbaMate is employed as a precursor in the synthesis of potential therapeutic agents, contributing to the advancement of new drugs for the treatment of various diseases and conditions.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate is used as a chemical entity for the exploration of its potential therapeutic effects, with ongoing research aimed at identifying its efficacy and safety in treating specific medical conditions.
Used in Reaction Mechanism Studies:
(R)-tert-butyl 2-oxoazepan-3-ylcarbaMate is utilized as a model compound in the study of reaction mechanisms, providing insights into the behavior of similar carbaMate derivatives and informing the design of more effective synthetic routes and drug candidates.

Check Digit Verification of cas no

The CAS Registry Mumber 106691-72-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,6,9 and 1 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 106691-72:
(8*1)+(7*0)+(6*6)+(5*6)+(4*9)+(3*1)+(2*7)+(1*2)=129
129 % 10 = 9
So 106691-72-9 is a valid CAS Registry Number.

106691-72-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-tert-Butyl (2-oxoazepan-3-yl)carbamate

1.2 Other means of identification

Product number -
Other names tert-butyl N-[(3R)-2-oxoazepan-3-yl]carbamate

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:106691-72-9 SDS

106691-72-9Relevant articles and documents

Convenient synthesis of (R)-3-[(tert -Butoxycarbonyl)amino]piperidine and (R)-3-[(tert -Butoxycarbonyl)amino]azepane

Kadyrov, Renat,Tok, Oleg L.

, p. 3573 - 3577 (2021)

(R)-3-[(tert -Butoxycarbonyl)amino]piperidine and (R)-3-[(tert -butoxycarbonyl)amino]azepane were prepared in two steps starting from d -ornithine and d -lysine, respectively. In the key step, N -Boc-protected 3-aminolactams were converted into imido esters by O-alkylation and then hydrogenated to amines, under mild conditions (5 bar H 2, room temperature) and without isolation, over a standard hydrogenation catalyst (5% Pt/C).

Resolution of the Confusion in the Assignments of Configuration for the Ciliatamides, Acylated Dipeptides from Marine Sponges

Takada, Kentaro,Irie, Raku,Suo, Rei,Matsunaga, Shigeki

, p. 2845 - 2849 (2017/11/06)

Direct comparison of authentic ciliatamide A with four synthetic isomers (1-4) by means of NMR and chiral-phase HPLC revealed that ciliatamide A possesses the 12R (d-N-MePhe residue) and 22S (l-Lys residue) configurations, which were not identical with either our previous assignment or those proposed by others through total synthesis. The absolute configuration of the methionine sulfoxide residue in ciliatamide D was also revised to be d.

Besifloxacin hydrochloride key intermediate preparation method

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Paragraph 0080; 0081; 0082; 0083; 0084; 0085; 0086; 0087, (2017/08/28)

The invention discloses a besifloxacin hydrochloride key intermediate (R)-alpha-t-butyloxycarboryl-amino-epsilon-caprolactam preparation method. The preparation method comprises the steps of taking (R)-N-Boc-allylglycine and allyl amine as starting materials, and performing amide condensation, RCM reaction, and catalytic hydrogenation reduction to synthesize and prepare the (R)-alpha-t-butyloxycarboryl-amino-epsilon-caprolactam. The preparation method has the characteristics of high reaction selectivity, less side reactions, high total recovery and product quality, convenient and simple technological operation, and high stability and controllability, and is suitable for industrial production.

N-SUBSTITUTED BENZENE SULFONAMIDES

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Page/Page column 97, (2008/06/13)

Disclosed are N-substituted benzenesulfonamides for use intreating in treating or preventing cognitive disorders, such as Alzheimer′s Disease. Formula (I) In formula (I), R1, R2, R3, R4, R3’, R10

Synthesis and characterization of bradykinin B2 receptor agonists containing constrained dipeptide mimics

Amblard, Muriel,Daffix, Isabelle,Bergé, Gilbert,Calmès, Monique,Dodey, Pierre,Pruneau, Didier,Paquet, Jean-Luc,Luccarini, Jean-Michel,Bélichard, Pierre,Martinez, Jean

, p. 4193 - 4201 (2007/10/03)

We have previously shown that substitution of the D-Tic-Oic dipeptide by a (3S)-[amino]-5-(carbonylmethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (D-BT) moiety in the bradykinin B2 receptor antagonist HOE 140 resulted in a full potent and sel

Synthesis and dopamine receptor modulating activity of lactam conformationally constrained analogues of Pro-Leu-Gly-NH2

Sreenivasan,Mishra,Johnson

, p. 256 - 263 (2007/10/02)

A series of analogues of the potent analogue of Pro-Leu-Gly-NH2 (PLG), 2- oxo-3(R)-[(2(S)-pyrrolidinylcarbonyl)amino]-1-pyrrolidineacetamide (2) were synthesized in which the (R)-γ-lactam residue of 2 was replaced with a (R)- β-lactam, (R)-aminosuccinimide, (R)-cycloseryl, (R)-δ-lactam, (R)-ε- lactam, or (S)-ε-lactam residue to give analogues 3-8, respectively. These substitutions were made so as to vary the ψ2 torsion angle. The analogues were tested for their ability to enhance the binding of the dopamine receptor agonist ADTN to the dopamine receptor. Analogues 3-6 and 8 exhibited dose- response curves that were bell-shaped in nature with the maximum effect occurring at a concentration of 1 μM. Analogue 7 was inactive. Analogues 3 and 4 were found to be as effective as PLG, while analogues 5, 6, and 8 appeared to be more effective than PLG in terms of enhancing the binding of ADTN to dopamine receptors. The activity of analogues 3-6 and 8 with their ψ2 angles in the vicinity of that observed in a type II β-turn is consistent with the hypothesis that this type of turn is the bioactive conformation of PLG.

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