4-[(1,1-Dioxo-1lambda6,4-thiazinan-4-yl)methyl]benzoic acid

CAS

465514-21-0

Catalog Number

ACM465514210

Category

Other Products

Molecular Weight

269.32

Molecular Formula

C₁₂H₁₅NO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

465514-21-0, 4-(4-Carboxybenzyl)thiomorpholine 1,1-dioxide, SBB052759, 4-[(1,1-Dioxidothiomorpholin-4-yl)methyl]benzoic acid, 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid, Maybridge3_002493, 4-[(1,1-dioxo-1,4-thiazaperhydroin-4-yl)methyl]benzoic acid, AC1MCRZ9, SureCN2518712, Oprea1_497360, CTK7I7892, MolPort-000-144-447, HMS1438B07, AKOS005071259, AG-C-00168, MCULE-7613036294, RP06475, RP21460, IDI1_013880, KB-71915

IUPAC Name

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid

Canonical SMILES

C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)C(=O)O

InChI Key

HMVAVIKQXATKEL-UHFFFAOYSA-N

Boiling Point

512.4ºC at 760 mmHg

Melting Point

222ºC

Flash Point

263.7ºC

Density

1.381g/cm³

Exact Mass

269.07200

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S37/39

Downstream Synthesis Route 1

465514-21-0
214360-73-3

929891-04-3

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2007/31791, 2007, A1
Location in patent: Page/Page column 84

Downstream Synthesis Route 2

465514-21-0
1092949-85-3

1092949-83-1

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2008/154601, 2008, A1
Location in patent: Page/Page column 39

Downstream Synthesis Route 3

465514-21-0
64-17-5

1033418-48-2

Reference: [1]Baxendale, Ian R.; Hornung, Christian; Ley, Steven V.; De Mata Munoz Molina, Juan; Wikstroem, Anders
[Australian Journal of Chemistry, 2013, vol. 66, # 2, p. 131 - 144]
[2]Location in patent: experimental part
Baumann, Marcus; Baxendale, Ian R.; Ley, Steven V.; Nikbin, Nikzad; Smith, Christopher D.; Tierney, Jason P.
[Organic and Biomolecular Chemistry, 2008, vol. 6, # 9, p. 1577 - 1586]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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