Triethyl 3-bromopropane-1,1,1-tricarboxylate
- CAS NO.:71170-82-6
- Empirical Formula: C12H19BrO6
- Molecular Weight: 339.18
- MDL number: MFCD02093104
- EINECS: 414-710-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-12 09:12:00
What is Triethyl 3-bromopropane-1,1,1-tricarboxylate?
Description
Triethyl 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.
Properties of Triethyl 3-bromopropane-1,1,1-tricarboxylate
| Boiling point: | 358.5±21.0 °C(Predicted) |
| Density | 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 |
Safety information for Triethyl 3-bromopropane-1,1,1-tricarboxylate
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 Triethyl 3-bromopropane-1,1,1-tricarboxylate
| InChIKey | VIMWZZMUASPQPL-UHFFFAOYSA-N |
| SMILES | C(CCBr)(C(=O)OCC)(C(=O)OCC)C(=O)OCC |
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