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tert-butyl 2'-chloro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-carboxylate - 97%, high purity , CAS No.1307248-45-8

COA

Grade & Purity:

≥97%

Cas Number: 1307248-45-8
Molecular Weight: 343.9
PubChem CID: 60154207

In stock

Item Number

T678867

Grouped product items
SKU	Size	Availability	Price
T678867-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$408.90
T678867-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$692.90
T678867-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,868.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrans
Alternative Parents	Piperidinecarboxylic acids 2,3,5-trisubstituted thiophenes Pyrans Aryl chlorides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyran - Piperidinecarboxylic acid - 2,3,5-trisubstituted thiophene - Pyran - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - Thiophene - Carbonic acid derivative - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
INCHI	InChI=1S/C16H22ClNO3S/c1-15(2,3)21-14(19)18-7-5-16(6-8-18)13-11(4-9-20-16)10-12(17)22-13/h10H,4-9H2,1-3H3
InChIKey	PEWMVDIBIRMSAC-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(CCO2)C=C(S3)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(CCO2)C=C(S3)Cl
PubChem CID	60154207
Molecular Weight	343.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	343.900 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	343.101 Da
Monoisotopic Mass	343.101 Da
Topological Polar Surface Area	67.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	432.000
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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