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tert-butyl 2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate - 97%, high purity , CAS No.916420-27-4

COA

Grade & Purity:

≥97%

Cas Number: 916420-27-4
Molecular Weight: 304.17
PubChem CID: 37819032

In stock

Item Number

T178206

Grouped product items
SKU	Size	Availability	Price
T178206-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
T178206-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90
T178206-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$252.90
T178206-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$568.90

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Pyrimidine compounds (125)

Basic Description

Synonyms	tert-Butyl 2,4-Dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate \| MFCD09025732 \| tert-butyl 2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate \| tert-butyltert-Butyl 2,4-Dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylat
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Pyridopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridopyrimidines
Alternative Parents	2-halopyrimidines Aryl chlorides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridopyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
INCHI	InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-5-4-7-8(6-17)15-10(14)16-9(7)13/h4-6H2,1-3H3
InChIKey	SAEOMPAQDWZLHC-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(N=C2Cl)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(N=C2Cl)Cl
PubChem CID	37819032
Molecular Weight	304.17

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.

7 results found

Lot Number	Certificate Type	Date	Item
H2420225	Certificate of Analysis	May 08, 2024	T178206
H2420227	Certificate of Analysis	May 08, 2024	T178206
H2420228	Certificate of Analysis	May 08, 2024	T178206
H2420229	Certificate of Analysis	May 08, 2024	T178206
H2420231	Certificate of Analysis	May 08, 2024	T178206
H2420226	Certificate of Analysis	May 08, 2024	T178206
H2420230	Certificate of Analysis	May 08, 2024	T178206

Chemical and Physical Properties

Sensitivity	Heat sensitive； Air sensitive
Melt Point(°C)	81 °C
Molecular Weight	304.170 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	303.054 Da
Monoisotopic Mass	303.054 Da
Topological Polar Surface Area	55.300 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	348.000
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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