Trans-1-Boc-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Product Information

Molecular Formula:
C9H14BNO2
Molecular Weight:
179.02
Description
Trans-1-Boc-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is a pivotal compound within the biomedical industry and assumes a paramount position in drug development for diverse ailments. Renowned for its pharmacological attributes, this acid finds application in synthesizing medications tailored for precise afflictions. Its multifarious uses encompass the mitigation of inflammation, management of pain, and combatting of neurological maladies.
Synonyms
2-((N,N-DIMETHYLAMINO)METHYL)BENZENEBORONIC ACID; 2-(N,N-DIMETHYLAMINOMETHYL)PHENYLBORONIC ACID; 2-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID; AKOS BRN-0065; 2-(N,N-DIMETHYLAMINOMETHY)PHENYLBORONIC ACID; 2-(N,N-Dimethylaminomethyl)phenylboronic acid,98%; 2-((di
IUPAC Name
[2-[(dimethylamino)methyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1CN(C)C)(O)O
InChI
InChI=1S/C9H14BNO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChI Key
VUDCTLOJEPCNRS-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
179.1117589 g/mol
Monoisotopic Mass
179.1117589 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
153
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022028506-A1 Sos1 inhibitor, pharmaceutical composition containing same, and use therefor 2020-08-06
WO-2021252555-A1 Collagen 1 translation inhibitors and methods of use thereof 2020-06-09
EP-3878891-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
WO-2021180795-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
WO-2020121263-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
US-2020223844-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
AU-2019398820-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
CA-3120667-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
CN-113195490-A Triazolopyridin-3-one or salt thereof and pharmaceutical composition comprising same 2018-12-14
EP-3894408-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14

Literatures

PMID Publication Date Title Journal
4737 1976-04-29 Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade Nature
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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