1-(2H-1,3-benzodioxol-5-yl)propan-1-one - CAS 28281-49-4

Catalog:	BB019799
Product Name:	1-(2H-1,3-benzodioxol-5-yl)propan-1-one
CAS:	28281-49-4
Synonyms:	1-(1,3-benzodioxol-5-yl)-1-propanone; 1-(1,3-benzodioxol-5-yl)propan-1-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(1,3-benzodioxol-5-yl)propan-1-one
Description:	1-(2H-1,3-benzodioxol-5-yl)propan-1-one (CAS# 28281-49-4 ) is a useful research chemical.
Molecular Weight:	178.187
Molecular Formula:	C10H10O3
Canonical SMILES:	CCC(=O)C1=CC2=C(C=C1)OCO2
InChI:	InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
InChI Key:	RVBJGSPBFIUTTR-UHFFFAOYSA-N
Boiling Point:	165-168 °C / 20 mmHg
Density:	1.21 g/cm³
MDL:	MFCD00016652
LogP:	2.00800

Publication Number	Title	Priority Date
WO-2021161083-A1	An efficient process for preparation of acyl derivatives of alkylenedioxybenzenes	20200213
WO-2021085321-A1	Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device	20191029
WO-2020174271-A1	An improved and commercially viable process for preparation of aryl ketones	20190228
CN-113490659-A	Improved and economically viable process for preparing aryl ketones	20190228
EP-3448843-A1	Aryl beta diketones and their use a odorants	20160428

PMID	Publication Date	Title	Journal
18205123	20080101	Variability in essential-oil composition of Piper marginatum sensu lato	Chemistry & biodiversity
15749360	20050510	Determination of synthesis route of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P) based on impurity profiles of MDMA	Forensic science international

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Other Building Blocks

Maltotetraose Tridecaacetate
[29278-68-0]
1,4-Butanediol Terephthalate Dibenzyl Ester
[951987-97-6]
N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide
[112157-39-8]
N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester
[866594-61-8]
(3aS,4R,6aR)-Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3H)-one
[131149-12-7]
(4Z)-4-Deoxy-4-[2-(1,1-dimethylethoxy)-2-oxoethylidene]-2,3-O-(1-methylethylidene)-β-L-erythro-pentopyranoside Methyl Ether

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7