Triethyl 3-bromopropane-1,1,1-tricarboxylate

HCID 10871494

Grundinformationen

CAS
71170-82-6
Standard-SMILES
CCOC(=O)C(CCBr)(C(=O)OCC)C(=O)OCC
InChIKey
VIMWZZMUASPQPL-UHFFFAOYSA-N
Summenformel
C12H19BrO6
Durchschnittliche Molmasse
339,18 g/mol
Monoisotopische Masse
338,03650043

Namen und Bezeichner

Bevorzugter Name
Triethyl 3-bromopropane-1,1,1-tricarboxylate
IUPAC
triethyl 3-bromopropane-1,1,1-tricarboxylate
Englischer Name
Triethyl 3-bromopropane-1,1,1-tricarboxylate
Summenformel
C12H19BrO6
Molmasse
339.18

Namen und Synonyme

71170-82-6TRIETHYL 3-BROMOPROPANE-1,1,1-TRICARBOXYLATETriethyl 3-bromo-1,1,1-propanetricarboxylateMFCD02093104triethyl (2-bromoethyl)methanetricarboxylateY75Q6455G0Ethyl 4-bromo-2,2-dicarbethoxybutanoate1,1,1-Propanetricarboxylic acid, 3-bromo-, 1,1,1-triethyl ester1-tricarboxylate1,1,1-Propanetricarboxylic acid, 3-bromo-, triethyl esterEthyl-3-Bromo Propane 1,1,1-TricarboxylateTriethyl3-bromopropane-1,1,1-tricarboxylate
Weitere Namen anzeigen
Triethyl 3-bromopropane-1C12H19BrO6SCHEMBL49521123-bromopropane-1,1,1-tricarboxylic acid triethyl esterUNII-Y75Q6455G0DTXSID00446621AKOS028108830SY273437

Datenbank-Bezeichner

CAS
71170-82-6
PubChem CID
10871494
DTXSID
DTXSID00446621
UNII
Y75Q6455G0
Nikkaji
J2.502.771J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
78,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
11
Schwere Atome
19

Physikochemische Eigenschaften

Siedepunkt
358.5 · 358.5±21.0 °C(Predicted)
Dichte
1.355 · 1.355±0.06 g/cm3(Predicted)
InChI
InChI=1S/C12H19BrO6/c1-4-17-9(14)12(7-8-13,10(15)18-5-2)11(16)19-6-3/h4-8H2,1-3H3
InChIKey
VIMWZZMUASPQPL-UHFFFAOYSA-N
SMILES
C(CCBr)(C(=O)OCC)(C(=O)OCC)C(=O)OCC

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

BeschreibungTriethyl 3-bromopropane-1,1,1-tricarboxylate (TRI) is a purine that is used as a supplement in the form of its salts. It is an active compound for treating herpes simplex virus type 1 and 2 (HSV-1 and HSV-2). TRI inhibits viral replication by acting on the viral DNA polymerase and blocking the synthesis of DNA, which prevents viral replication. TRI also inhibits cellular protein synthesis by inhibiting ribonucleotide reductase and guanosine kinase. TRI can be synthesized using a catalytic process or a hydrogenolysis process. Catalytic processes are generally preferred because they are more economical than hydrogenolysis processes; however, both methods produce impurities that must be removed before the desired product can be. Triethyl 3-bromopropane-1,1,1-tricarboxylate is used as the side chain of the pharmaceutical intermediate Famciclovir. Famciclovir is a purine nucleoside analogue and an oral prodrug of penciclovir. It was first marketed in the UK in 1993 by the British company SKB for treating shingles.

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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东春雨精细化工有限责任公司13561220159 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

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