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2-(3-chloropropyl)-1，3-dioxolane - ≥97%(GC), high purity , CAS No.16686-11-6
Basic Description
Synonyms
TD8141 | 2-(3-Chloropropyl)-1,3-dioxolane, >=97.0% (GC) | J-010311 | 2-(3-chloropropyl)-dioxolan | AM20080476 | 2-(3-Chloro-propyl)-[1,3]dioxolane | 2-(3-chloro-propyl)-[1,3]-dioxolane | SCHEMBL1238908 | 4-Chlorobutyraldehyde ethylene acetal | 2-(3-Chloro
Specifications & Purity
≥97%(GC)
Shipped In
Normal
Product Description
2-(3-Chloropropyl)-1,3-dioxolane (2-(3′-chloropropyl)-1,3-dioxolane) is a masked γ-chlorobutyraldehyde and was used for the introduction of 3-(1,3-dioxolan-2-yl)propyl moiety. It was also used in the synthesis of: . (±)-histrionicotoxin and (±)-histrionicotoxin 235A using a two-directional strategy . 4-iodobutyraldehyde, 5-iodovaleraldehyde and 5-iodo-2-petanone . corresponding phosphonate
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxolanes
Subclass
1,3-dioxolanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxolanes
Alternative Parents
Oxacyclic compounds Acetals Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-(3-chloropropyl)-1,3-dioxolane
INCHI
InChI=1S/C6H11ClO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5H2
InChIKey
ZBPUNVFDQXYNDY-UHFFFAOYSA-N
Smiles
C1COC(O1)CCCCl
Isomeric SMILES
C1COC(O1)CCCCl
WGK Germany
3
Molecular Weight
150.6
Beilstein
1236588
Reaxy-Rn
1236588
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236588&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.45
Flash Point(°F)
174.2 °F
Flash Point(°C)
79 °C
Boil Point(°C)
53 °C/0.5 mmHg
Molecular Weight
150.600 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
150.045 Da
Monoisotopic Mass
150.045 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
71.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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D1710095