3,4-Diacetoxybenzoic Acid - CAS 58534-64-8

Name: 3,4-Diacetoxybenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030069
Product Name:	3,4-Diacetoxybenzoic Acid
CAS:	58534-64-8
Synonyms:	3,4-diacetyloxybenzoic acid; 3,4-diacetyloxybenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,4-diacetyloxybenzoic acid
Description:	3,4-Diacetoxybenzoic Acid (CAS# 58534-64-8) is an intermediate in the synthesis of Roflumilast (R639700), an selective phosphodiesterase 4(PDE4) inhibitor.
Molecular Weight:	238.19
Molecular Formula:	C11H10O6
Canonical SMILES:	CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC(=O)C
InChI:	InChI=1S/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)
InChI Key:	FJVSTYFZOUSZCS-UHFFFAOYSA-N
Boiling Point:	403.8 °C at 760 mmHg
Density:	1.344 g/cm³
Appearance:	No data
MDL:	MFCD00017516
LogP:	0.79600

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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Publication Number	Title	Priority Date
CN-111909051-A	N- [ 4-phenyl-3- (benzoylamino) -1,1, 1-trifluoro-butyl-2-yl ] -phenylalaninol derivative and preparation method and application thereof	20200807
JP-WO2018159827-A1	Creation of non-steroidal compounds with plant steroid hormone (brassinolide) -like activity	20170303
WO-2018159827-A1	Production of non-steroid compound having plant steroid hormone (brassinolide)-like activity	20170303
AU-2016317968-A1	Compound having effect of inhibiting platelet aggregation and salt thereof, and composition for preventing or treating thrombotic diseases, containing same	20150904
CA-2997549-A1	Compound having effect of inhibiting platelet aggregation and salt thereof, and composition for preventing or treating thrombotic diseases, containing same	20150904

Complexity:	324
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.04773803
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.04773803
Rotatable Bond Count:	5
Topological Polar Surface Area:	89.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2