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trans-2-Butenal diethyl acetal - 95%, high purity , CAS No.63511-92-2

    Grade & Purity:
  • ≥95%
In stock
Item Number
T349700
Grouped product items
SKU Size
Availability
Price Qty
T349700-5ml
5ml
3
$76.90

Discover trans-2-Butenal diethyl acetal by Aladdin Scientific in 95% for only $76.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms (E)-1,1-diethoxybut-2-ene | starbld0003752 | crotonaldehyde diethyl acetal | AS-76693 | NSC219876 | NSC-219876 | InChI=1/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+ | (2E)-1,1-diethoxybut-2-ene | SCHEMBL2025292 | 1,1-Diethoxybut-2-ene | trans-
Specifications & Purity ≥95%
Shipped In Normal
Product Description

trans-2-Butenal diethyl acetal is an acetal. Acetals are usually derived from the aldehydes. They have two single-bonded oxygen atoms attached to the same carbon atom. They are stable under basic conditions and they can be hydrolyzed back to the carbonyl compound. Acetals serves as a carbonyl protecting group and also are present as functional groups in glycosidic bonds. trans-2-Butenal diethyl acetal has been synthesized from trans-2-butenal with ethanol in the presence of methanesulfonic acid or methylsulfonate as catalysts. 

Application:

trans-2-Butenal diethyl acetal may be used in the preparation of 2S,3S-epoxybutan-1-ol, an intermediate in the synthesis of erythromycin antibiotic.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Ethers
Intermediate Tree Nodes Not available
Direct Parent Acetals
Alternative Parents Hydrocarbon derivatives  
Molecular Framework Aliphatic acyclic compounds
Substituents Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
External Descriptors Not available

Names and Identifiers

IUPAC Name (E)-1,1-diethoxybut-2-ene
INCHI InChI=1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+
InChIKey ZUMISMXLQDKQDS-QPJJXVBHSA-N
Smiles CCOC(C=CC)OCC
Isomeric SMILES CCOC(/C=C/C)OCC
PubChem CID 6278424
Molecular Weight 144.21

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number Certificate Type Date Item
L2325284 Certificate of Analysis Dec 08, 2023 T349700

Chemical and Physical Properties

Refractive Index n20/D 1.412 (lit.)
Boil Point(°C) 146-150 °C (lit.)
Molecular Weight 144.210 g/mol
XLogP3 1.700
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 144.115 Da
Monoisotopic Mass 144.115 Da
Topological Polar Surface Area 18.500 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 83.300
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

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