tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

CAS NO.：916420-27-4
Empirical Formula: C12H15Cl2N3O2
Molecular Weight: 304.17
MDL number: MFCD09025732
EINECS: 1533716-785-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-11 17:04:31

What is tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?

The Uses of tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate can be used as an intermediate for laboratory R&D.

Synthesis

tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate can be prepared by Intermediate 4 in DCM stirred with (Boc)2O and TEA at room temperature for 16 hours.
Synthesis_916420-27-4

Properties of tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

Boiling point:	423.1±45.0 °C(Predicted)
Density	1.352±0.06 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
pka	-1.95±0.20(Predicted)
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

Safety information for tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

InChIKey	SAEOMPAQDWZLHC-UHFFFAOYSA-N
SMILES	C1(Cl)=NC(Cl)=C2CCN(C(OC(C)(C)C)=O)CC2=N1

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product: 916420-27-4 tert-butyl 2,4-dichloro-5,8-dihydropyrido [3,4-d]pyrimidine-7(6H)-carboxylate 98%

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product: Tert-Butyl 2,4-Dichloro-5,6- Dihydropyrido[3,4-D]Pyrimidine-7(8H)-Carboxylate 98%

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