(1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile is a bicyclic chiral compound that features a carbonitrile functional group and a methyl-phenyl-amino substituent. Its molecular structure is characterized by a bicyclo[2.2.1]heptane ring system with a carbonitrile group and a methyl-phenyl-amino group attached. The presence of stereocenters at the first carbon atom and an asymmetric carbon atom at the second position endows this molecule with unique properties, making it a promising candidate for pharmaceutical and medicinal chemistry applications, particularly as a building block for synthesizing biologically active compounds.
100476-47-9
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Basic information
- Product Name: (1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile
- Synonyms:
- CAS NO:100476-47-9
- Molecular Formula:
- Molecular Weight: 224.305
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile(CAS DataBase Reference)
- NIST Chemistry Reference: (1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile(100476-47-9)
- EPA Substance Registry System: (1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile(100476-47-9)
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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: 100476-47-9(Hazardous Substances Data)
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100476-47-9 Usage
Uses
Used in Pharmaceutical Industry:(1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile is used as a key intermediate in the synthesis of various biologically active compounds due to its unique molecular structure and functional groups. Its chiral nature and the presence of a carbonitrile group make it a versatile building block for creating novel pharmaceutical agents with potential therapeutic applications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, (1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile serves as a valuable compound for studying the structure-activity relationships of drug candidates. Its unique stereochemistry and functional groups allow researchers to explore the impact of molecular modifications on the biological activity and pharmacokinetic properties of synthesized compounds, ultimately leading to the development of more effective and safer drugs.
Check Digit Verification of cas no
The CAS Registry Mumber 100476-47-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,4,7 and 6 respectively; the second part has 2 digits, 4 and 7 respectively.Calculate Digit Verification of CAS Registry Number 100476-47:
(8*1)+(7*0)+(6*0)+(5*4)+(4*7)+(3*6)+(2*4)+(1*7)=89
89 % 10 = 9
So 100476-47-9 is a valid CAS Registry Number.
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100476-47-9Downstream Products
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(1R,2S,4R)-2-(Methyl-phenyl-amino)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile
