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cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate is a chemical compound characterized by the molecular formula C18H21NO4. It is a pyrrolidinedicarboxylate derivative featuring a pyrrolidine ring with two methyl groups and a benzyl group attached to the carbon atoms. cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate is recognized for its role as an intermediate in the synthesis of pharmaceutical drugs and organic compounds, particularly in the production of antipsychotic and anti-anxiety medications.

87813-06-7

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87813-06-7 Usage

Uses

Used in Pharmaceutical Industry:
cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate is utilized as a key intermediate in the synthesis of various pharmaceutical drugs. Its unique structure allows it to serve as a building block for the development of medications targeting mental health conditions, such as antipsychotic and anti-anxiety drugs.
Used in Chemical Industry:
In the chemical industry, cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate is employed in the synthesis of organic compounds. Its versatile chemical properties make it a valuable component in the creation of a wide range of chemical products.
Used in Research and Development:
cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate is also the subject of ongoing research for its potential therapeutic properties. Scientists are exploring its possible applications in medicine, which may lead to the discovery of new treatments and advancements in healthcare.

Check Digit Verification of cas no

The CAS Registry Mumber 87813-06-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,8,1 and 3 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 87813-06:
(7*8)+(6*7)+(5*8)+(4*1)+(3*3)+(2*0)+(1*6)=157
157 % 10 = 7
So 87813-06-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+

87813-06-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name dimethyl (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylate

1.2 Other means of identification

Product number -
Other names dimethyl N-benzylpyrrolidine-3,4-dicarboxylate

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:87813-06-7 SDS

87813-06-7Relevant academic research and scientific papers

Electrochemical Generation of a Nonstabilized Azomethine Ylide: Access to Substituted N-Heterocycles

Kumar, Rakesh,Banerjee, Prabal

, p. 16104 - 16113 (2021/11/18)

Azomethine ylides are fascinating 1,3-dipoles for [3 + 2] cycloaddition reactions toward the construction ofN-heterocycles. Herein, an efficient and environmentally benign electrochemical approach for the generation of a nonstabilized azomethine ylide has been established under metal-free and external oxidant-free conditions. The resulting 1,3-dipole undergoes a [3 + 2] cycloaddition reaction with olefins. This electrosynthetic methodology indulges a straightforward and facile approach for the construction of substituted pyrrolidines.

Diprovocims: A New and Exceptionally Potent Class of Toll-like Receptor Agonists

Morin,Wang, Ying,Jones, Brian T.,Mifune, Yuto,Su, Lijing,Shi, Hexin,Moresco, Eva Marie Y.,Zhang, Hong,Beutler, Bruce,Boger, Dale L.

supporting information, p. 14440 - 14454 (2018/10/24)

A screen conducted with nearly 100000 compounds and a surrogate functional assay for stimulation of an immune response that measured the release of TNF-α from treated human THP-1 myeloid cells differentiated along the macrophage line led to the discovery of the diprovocims. Unique to these efforts and of special interest, the screening leads for this new class of activators of an immune response came from a compound library designed to promote cell-surface receptor dimerization. Subsequent comprehensive structure-activity relationship studies improved the potency 800-fold over that of the screening leads, providing diprovocim-1 and diprovocim-2. The diprovocims act by inducing cell-surface toll-like receptor (TLR)-2 dimerization and activation with TLR1 (TLR1/TLR2 agonist), bear no structural similarity to any known natural or synthetic TLR agonist, and are easy to prepare and synthetically modify, and selected members are active in both human and murine systems. The most potent diprovocim (3, diprovocim-1) elicits full agonist activity at extraordinarily low concentrations (EC50= 110 pM) in human THP-1 cells, being more potent than the naturally derived TLR1/TLR2 agonist Pam3CSK4 or any other known small molecule TLR agonist.

COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS

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Page/Page column 256, (2018/02/28)

Compositions and methods for the treatment of bacterial infections include compounds containing dimers of cyclic heptapeptides. In particular, compounds can be used in the treatment of bacterial infections caused by Gram-negative bacteria.

Synthesis and biological activity of Δ-5,6-norcantharimides: importance of the 5,6-bridge

Thaqi, Ali,Scott, Janet L.,Gilbert, Jayne,Sakoff, Jennette A.,McCluskey, Adam

supporting information; experimental part, p. 1717 - 1723 (2010/07/02)

Cantharidin (1) and norcantharidin (2) are potent protein phosphatase 1 and 2A inhibitors that also display high levels of anticancer activity against a broad range of tumor cells lines. Surprisingly, Δ-5,6-ethyl norcantharidin (3, cis-tetrahydrofurano[3,4-c]furan-1,3-dione) displays neither phosphatase inhibition nor anticancer activity. This suggests that the 5,6-ethyl bridge is pivotal to both anti-cancer and protein phosphatase activity. Additionally bioisosteric replacement of the ethereal oxygen has no effect on biological activity nor does modification of the anhydride moiety. Unlike the parent norcantharidin, anhydride ring opening has no effect on either protein phosphatase inhibition or anti-cancer activity. Additionally, this work highlights the discovery of the octyl substituted, cis-5-benzyl-2-hexyltetrahydro-2H,3aH-pyrrolo[3,4-c]pyrrole-1,3-dione, 9p, and the octyl substituted, cis-octyltetrahydro-5H-furo[3,4-c]pyrrole-4,6-dione, 8p, as two new cytotoxic agents which are equipotent (9p) with, and more potent (8p) than norcantharidin. Crown Copyright

Small molecule inhibitors of Myc/Max dimerization and Myc-induced cell transformation

Shi, Jin,Stover, James S.,Whitby, Landon R.,Vogt, Peter K.,Boger, Dale L.

scheme or table, p. 6038 - 6041 (2010/04/05)

The preparation and evaluation of a series of inhibitors of Myc/Max dimerization and Myc-induced cell transformation are described providing mycmycin-1 (3) and mycmycin-2 (4).

Tris(pentafluorophenyl)borane-catalyzed synthesis of N-benzyl pyrrolidines

Srihari, Pabbaraja,Yaragorla, Srinivasa Rao,Basu, Debjit,Chandrasekhar, Srivari

, p. 2646 - 2648 (2008/02/04)

1,3-Dipolar cycloaddition of in situ generated azomethine ylides to electron deficient olefins catalyzed tris(pentafluorophenyl)borane is described. Georg Thieme Verlag Stuttgart.

1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha

-

, (2008/06/13)

The present application describes novel 1,2-disubsituted cyclic derivatives of formula I: or pharmaceutically acceptable salt forms thereof, wherein ring B is a 3-8 membered non-aromatic ring consisting of: carbon atoms, 0-1 carbonyl groups, 0-1 double bo

Sequential two-electron oxidation of α,α′-disilylmethylamines to generate non-stabilized azomethine ylide: An ideal approach for the construction of substituted and fused pyrrolidine ring systems

Pandey, Ganesh,Lakshmaiah,Gadre, Smita R.

, p. 91 - 98 (2007/10/03)

α,α′-Di(trimethylsilylmethyl)amines undergo sequential double desilylation processes, by two-electron oxidation initiated either by photoinduced electron transfer (PET) or Ag(I)F, to produce non-stabilized azomethine ylides efficiently which upon trapping with appropriate dipolarophiles give the corresponding pyrrolidines. Application of this strategy to cyclic analogue for the rapid construction of biologically important 1-azabicyclo[m,3.0]alkane framework is discussed.

A versatile cycloaddition for the generation of pyrrolidine derivatives via C-N-C 1,3-dipoles

Torii, Sigeru,Okumoto, Hiroshi,Genba, Akiko

, p. 747 - 748 (2007/10/03)

The condensation of N-(trimethylsilylmethyl)benzylamine and aldehydes spontaneously gave azomethine ylides, which react with electron deficient olefins to yield cycloadducts under mild conditions.

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