Catalog No.:AA00BZY0

3849-22-7 | (3-Oxo-2,3-dihydro-1h-isoindol-1-yl)acetic acid

Name: Name:(3-Oxo-2,3-dihydro-1h-isoindol-1-yl)acetic acid
Brand: AABLOCKS
SKU: AA00BZY0
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00BZY0

Chemical Name:

(3-Oxo-2,3-dihydro-1h-isoindol-1-yl)acetic acid

CAS Number:

3849-22-7

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

MDL Number:

MFCD00456083

SMILES:

OC(=O)CC1NC(=O)c2c1cccc2

NSC Number:

134573

Properties

BP:

506.5°C at 760 mmHg

Computed Properties

Complexity:

264

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

0.3

Downstream Synthesis Route

3849-22-7

52952-31-5

[1]Barrettetal.[JournaloftheChemicalSociety,1940,p.1076,1078]

3849-22-7

94512-07-9

[1]Gellert;Wong[AustralianJournalofChemistry,1984,vol.37,#9,p.1931-1937]

3849-22-7

2252-63-3

1404559-32-5

[1]DiMola,Antonia;Gatta,Elena;Petronzi,Carmen;Cupello,Aroldo;DeCaprariis,Paolo;Robello,Mauro;Massa,Antonio;Filosa,Rosanna[BioorganicandMedicinalChemistryLetters,2016,vol.26,#21,p.5284-5289]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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