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Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is a complex organic ester compound characterized by a bicyclic ring system, a carboxylate functional group, a methyl group, an iodophenyl group, and a nitrogen atom. Its unique molecular structure and stereochemistry make it a potentially important building block for the development of new drugs and materials, as well as a target for chemical and pharmacological research.

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  • methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate CAS NO.133647-95-7

    Cas No: 133647-95-7

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  • methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

    Cas No: 133647-95-7

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  • 133647-95-7 Structure
  • Basic information

    1. Product Name: methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
    2. Synonyms: 2-Carbomethoxy-3-(4-iodophenyl)tropane;3-(4-Iodophenyl)tropane-2-carboxylic acid methyl ester;C069723;I(123)beta-Cit;Iodine (125)-rti-55;methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;RTI 55;RTI-5
    3. CAS NO:133647-95-7
    4. Molecular Formula: C16H20INO2
    5. Molecular Weight: 385.23997
    6. EINECS: N/A
    7. Product Categories: pharmaceutical intermdediate
    8. Mol File: 133647-95-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 405.3°Cat760mmHg
    3. Flash Point: 198.9°C
    4. Appearance: /
    5. Density: 1.493g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.589
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate(133647-95-7)
    12. EPA Substance Registry System: methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate(133647-95-7)
  • 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: 133647-95-7(Hazardous Substances Data)

133647-95-7 Usage

Uses

Used in Organic Synthesis:
Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its unique structure and functional groups enable it to serve as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Research:
Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is used as a starting material in the development of new drugs. Its unique molecular structure and stereochemistry make it a promising candidate for the design and synthesis of novel therapeutic agents with potential applications in various medical fields.
Used in Drug Discovery:
Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is used as a target compound in drug discovery efforts. Its unique structure and functional groups make it an attractive candidate for further chemical and pharmacological studies, with the potential to identify new drug candidates with specific biological activities.
Used in Chemical Research:
Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is used as a subject of chemical research to explore its properties, reactivity, and potential applications. Its unique molecular structure and stereochemistry make it an interesting target for studies aimed at understanding its chemical behavior and developing new synthetic methods and applications.
Used in Material Science:
Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is used as a component in the development of new materials with specific properties. Its unique structure and functional groups make it a promising candidate for the design and synthesis of advanced materials with potential applications in various industries, such as electronics, coatings, and polymers.

Check Digit Verification of cas no

The CAS Registry Mumber 133647-95-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,6,4 and 7 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 133647-95:
(8*1)+(7*3)+(6*3)+(5*6)+(4*4)+(3*7)+(2*9)+(1*5)=137
137 % 10 = 7
So 133647-95-7 is a valid CAS Registry Number.
InChI:InChI=1/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1

133647-95-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Iometopane

1.2 Other means of identification

Product number -
Other names RTI-55

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:133647-95-7 SDS

133647-95-7Downstream Products

133647-95-7Relevant articles and documents

Synthesis and monoamine transporter affinity of 2β-carbomethoxy-3β-(2-,3- or 4-substituted) biphenyltropanes

Tamagnan, Gilles,Baldwin, Ronald M.,Kula, Nora S.,Baldessarini, Ross J.,Innis, Robert B.

, p. 1783 - 1785 (2000)

A series of 11 novel 3β-substituted biphenyltropanes was synthesized and evaluated by selective radioligand binding assays for affinity to monoamine transporters. Both 5-HTT potency and selectivity for 5-HTT over DAT was greatest with electron withdrawing group at the 3-position. (C) 2000 Elsevier Science Ltd. All rights reserved.

Isomerization study of aryltropane analogs of cocaine

Zheng, Qi-Huang,Mulholland, G. Keith

, p. 333 - 340 (2000)

Isomerization of brain imaging agents aryltropane cocaine analogs have been examined by HPLC under chemical conditions similar to those encountered during radiolabeling.

Synthesis and biological evaluation of 2β,3α-(substituted phenyl)nortropanes as potential norepinephrine transporter imaging agents

Zeng, Fanxing,Stehouwer, Jeffrey S.,Jarkas, Nachwa,Voll, Ronald J.,Williams, Larry,Camp, Vernon M.,Votaw, John R.,Owens, Michael J.,Kilts, Clinton D.,Nemeroff, Charles B.,Goodman, Mark M.

, p. 3044 - 3047 (2008/02/05)

A series of 2β,3α-(substituted phenyl)nortropanes was synthesized and evaluated in vitro for human monoamine transporters. All compounds studied in this series exhibited nanomolar potency for the norepinephrine transporter (NET). Radiolabeling and nonhuma

Dopamine transporter imaging ligand

-

Page column 5-6, (2010/01/30)

The 3α isomer of RTI-55, RTI-352, is an effective in vivo binding ligand that reflects greater selectivity for the dopamine transporter than is observed with RTI-55. In addition, there is also a more rapid achievement of apparent equilibrium in the striat

Fluoralkenyl nortropanes

-

Page column 17, (2008/06/13)

Provided are compounds of the following formula: wherein R is C2-C6 mono- or multi-unsaturated hydrocarbon having one or more ethylene, acetylene or allene groups, A is 18 or 19, and X is H or halogen. The compounds of the invention bind to dopamine transporter with high affinity and selectivity and are thus useful as diagnostic and therapeutic agents for diseases associated with dopamine transporter dysfunction. The radiolabeled compounds are useful as imaging agents for visualizing the location and density of dopamine transporter by PET imaging.

A direct iodination method with iodine and silver triflate for the synthesis of SPECT and PET imaging agent precursors

Mulholland,Zheng

, p. 3059 - 3068 (2007/10/03)

A direct iodination method with iodine and silver triflate for the synthesis of SPECT and PET imaging agent precursors has been developed.

Synthesis and biological evaluation of a series of novel N- or O-fluoroalkyl derivatives of tropane: Potential positron emission tomography (PET) imaging agents for the dopamine transporter

Gu, Xiao-Hui,Zong, Rushi,Kula, Nora S.,Baldessarini, Ross J.,Neumeyer, John L.

, p. 3049 - 3053 (2007/10/03)

A series of novel fluoroalkyl-containing tropane derivatives was synthesized, and their binding affinities for the dopamine transporter (DAT), serotonin transporter (SERT), and norepinephrine transporter (NET) were determined via competitive binding assays. Among these derivatives, the fluoropropyl ester of β-CIT (19), the fluoroethyl ester of β-CIT (20), the N-fluoropropyl derivative of β-CBT (12), and the fluoropropyl ester of β-CMT (18) displayed higher affinity and greater selectivity for the DAT versus SERT and NET than FP-CIT, which indicates that they are attractive candidates for the development of 18F-labeled PET imaging agents for the DAT.

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