Tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is a chemical compound with the molecular formula C10H17F2N2O2. It is a derivative of 1,4-diazepane and features a tert-butyl ester group. tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is recognized for its role in organic synthesis and medicinal chemistry, where it serves as a building block for the preparation of various pharmaceuticals and biologically active compounds. Its ability to act as a ligand in coordination chemistry and its potential as a chiral auxiliary in asymmetric synthesis are notable. Furthermore, the fluorinated structure of tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate lends it potential applications in the development of fluorine-containing pharmaceuticals and materials.
1166820-07-0
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Basic information
- Product Name: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
- Synonyms:
- CAS NO:1166820-07-0
- Molecular Formula:
- Molecular Weight: 236.262
- EINECS: N/A
- Product Categories: N/A
- Mol File: 1166820-07-0.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 282.1±40.0 °C(Predicted)
- Flash Point: N/A
- Appearance: N/A
- Density: 1.15±0.1 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate(CAS DataBase Reference)
- NIST Chemistry Reference: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate(1166820-07-0)
- EPA Substance Registry System: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate(1166820-07-0)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 1166820-07-0(Hazardous Substances Data)
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1166820-07-0 Usage
Uses
Used in Pharmaceutical and Medicinal Chemistry:Tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is utilized as a building block for the synthesis of pharmaceuticals and biologically active compounds, contributing to the development of new drugs and therapeutic agents.
Used in Organic Synthesis:
In the field of organic synthesis, tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is employed as a versatile intermediate, facilitating the creation of complex organic molecules and enhancing the efficiency of synthetic pathways.
Used in Coordination Chemistry:
As a ligand in coordination chemistry, tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is applied to form coordination compounds, which can have applications in catalysis, materials science, and other areas.
Used in Asymmetric Synthesis:
Tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate is used as a chiral auxiliary in asymmetric synthesis, enabling the selective formation of enantiomers, which is crucial for the production of enantiomerically pure compounds in pharmaceuticals and agrochemicals.
Used in Fluorine-Containing Pharmaceuticals and Materials:
The fluorinated structure of tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate makes it a candidate for the development of fluorine-containing pharmaceuticals and materials, where fluorine substitution can significantly influence the properties and performance of the final products.
Check Digit Verification of cas no
The CAS Registry Mumber 1166820-07-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,6,6,8,2 and 0 respectively; the second part has 2 digits, 0 and 7 respectively.Calculate Digit Verification of CAS Registry Number 1166820-07:
(9*1)+(8*1)+(7*6)+(6*6)+(5*8)+(4*2)+(3*0)+(2*0)+(1*7)=150
150 % 10 = 0
So 1166820-07-0 is a valid CAS Registry Number.
1166820-07-0Upstream product
1166820-07-0Downstream Products
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tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
