tert-Butyl 4-chloro-5,6-dihydropyrido(4',3':4,5)thieno(2,3-d)pyrimidine-7(8H)-carboxylate

HCID 49788563

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Grundinformationen

CAS: 946198-89-6
Standard-SMILES: CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1
InChIKey: GIBDUINSURSICA-UHFFFAOYSA-N
Summenformel: C14H16ClN3O2S
Durchschnittliche Molmasse: 325,8 g/mol
Monoisotopische Masse: 325,06517543

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-chloro-5,6-dihydropyrido(4',3':4,5)thieno(2,3-d)pyrimidine-7(8H)-carboxylate
IUPAC: tert-butyl 3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxylate
Englischer Name: tert-butyl 4-chloro-5,6-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate7(6H)-carboxylic acid
Summenformel: C14H16ClN3O2S
Molmasse: 325.81

Namen und Synonyme

tert-Butyl 4-chloro-5,6-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylatetert-Butyl 4-chloro-5,6-dihydropyrido(4',3':4,5)thieno(2,3-d)pyrimidine-7(8H)-carboxylateRefChem:894004881-442-9946198-89-6MFCD09754437tert-butyl 4-chloro-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate4-Chloro-5,8-dihydro-6H-9-thia-1,3,7-triaza-fluorene-7-carboxylic acid tert-butyl esterPyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl estertert-butyl 3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxylatetert-butyl 3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,]trideca-1(9),2(7),3,5-tetraene-11-carboxylatetert-butyl 4-chloro-5,6-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate7(6H)-carboxylic acid

Weitere Namen anzeigen

tert-butyl 4-chloro-5,6-dihydropyrido 4',3']trideca-1(9),2(7),3,5-tetraene-11-carboxylatetert-butyl 3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.0²4,5 thieno 2,3-d pyrimidine-7(8H)-carboxylate7(6H)-carboxylic acid7-Boc-4-chloro-5,8-dihydro-(6H)-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine7-Boc-4-chloro-5,6,7,8-tetrahydropyrido[4’,3’:4,5]thieno[2,3-d]pyrimidine7-Boc-4-chloro-5,6,7,8-tetrahydropyrido[4’,3’:4,5]thieno[2,3-d]pyrimidinetert-butyl 4-chloro-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-d]pyrimidine-7-carboxylatetert-butyl 4-chloro-5,8-dihydropyrido[4,3:4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate

SCHEMBL937868SCHEMBL30879437DTXSID50678551GIBDUINSURSICA-UHFFFAOYSA-NWMB19889AKOS016015090SB40815tert-Butyl4-chloro-5,6-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate

Datenbank-Bezeichner

CAS: 946198-89-6
PubChem CID: 49788563
DTXSID: DTXSID50678551
EC Number: 881-442-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 21
Formalladung: 0
Komplexität: 418

Physikochemische Eigenschaften

Siedepunkt: 465.4 · 465.4±45.0 °C(Predicted)
Dichte: 1.377 · 1.377±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 0.7 · 0.70±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.