tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
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Product
tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
CAS
1467060-28-1
Formula
C15H20BrNO2
Product Description
tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate is a chemical compound with the molecular formula C15H20BrNO2. It is characterized by its complex structure and is often used in pharmaceutical applications due to its potential as an active ingredient or intermediate in drug synthesis.
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Typical Product Specifications
Chemical Structure
Canonicalized Compound
1
Compound Complexity
319
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Allowed IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
CAS-like Style IUPAC Name
3-(4-bromophenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
Markup IUPAC Name
<I>tert</I>-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Preferred IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Systematic IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Traditional IUPAC Name
3-(4-bromophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester
Standard InChI
InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11/h4-7,12H,8-10H2,1-3H3
Standard InChIKey
NFTKVQYDQFSNHQ-UHFFFAOYSA-N
XLogP3-AA Log P
3.7
Exact Mass
325.06774
Molecular Weight
326.23
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br
Polar Surface Area Topological
29.5
MonoIsotopic Weight
325.06774
Class
Uses of tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
This compound is primarily utilized in the pharmaceutical industry for the development of various drugs, its unique chemical properties make it suitable for use in synthesizing active pharmaceutical ingredients (APIs) and intermediates, which are crucial in the formulation of medications.
Industries that use tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
- Pharmaceutical - In the pharmaceutical industry, this compound is used in the synthesis of drugs, particularly those targeting neurological conditions due to its pyrrolidine structure.
- Chemical Manufacturing - Chemical manufacturers may use this compound as an intermediate in the production of other specialty chemicals or pharmaceuticals.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, particularly in medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
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tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Product
tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
CAS
1467060-28-1
Formula
C15H20BrNO2
Product Description
tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate is a chemical compound with the molecular formula C15H20BrNO2. It is characterized by its complex structure and is often used in pharmaceutical applications due to its potential as an active ingredient or intermediate in drug synthesis.
Need a quote for tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Chemical Structure
Canonicalized Compound
1
Compound Complexity
319
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Allowed IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
CAS-like Style IUPAC Name
3-(4-bromophenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
Markup IUPAC Name
<I>tert</I>-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Preferred IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Systematic IUPAC Name
tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
Traditional IUPAC Name
3-(4-bromophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester
Standard InChI
InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11/h4-7,12H,8-10H2,1-3H3
Standard InChIKey
NFTKVQYDQFSNHQ-UHFFFAOYSA-N
XLogP3-AA Log P
3.7
Exact Mass
325.06774
Molecular Weight
326.23
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br
Polar Surface Area Topological
29.5
MonoIsotopic Weight
325.06774
Class
Uses of tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
This compound is primarily utilized in the pharmaceutical industry for the development of various drugs, its unique chemical properties make it suitable for use in synthesizing active pharmaceutical ingredients (APIs) and intermediates, which are crucial in the formulation of medications.
Industries that use tert-Butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate
- Pharmaceutical - In the pharmaceutical industry, this compound is used in the synthesis of drugs, particularly those targeting neurological conditions due to its pyrrolidine structure.
- Chemical Manufacturing - Chemical manufacturers may use this compound as an intermediate in the production of other specialty chemicals or pharmaceuticals.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, particularly in medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
Contact Us
