tert-Butyl 2,2,2-trichloroacetimidate
- CAS No.
- 98946-18-0
- Chemical Name:
- tert-Butyl 2,2,2-trichloroacetimidate
- Synonyms
- TBTA;FMOC-NH2;Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine;tert-Butyl trichloroacetiMidate;tert-Butyl 2,2,2-trichloroethanimidate;tert-butyl 2,2,2-trichloroethanecarboximidate;T-BUTYL TRICHLOROACETIMIDATE;9-(FLUORENYLMETHYLCARBONYL) AMIDE;T-BUTYL 2,2,2-TRICHLOROACETIMIDATE;Tert butyl trichloroacetimide ester
- CBNumber:
- CB4854755
- Molecular Formula:
- C6H10Cl3NO
- Molecular Weight:
- 218.51
- MDL Number:
- MFCD00077410
- MOL File:
- 98946-18-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| tert-Butyl 2,2,2-trichloroacetimidate 96% | 364789 | 5g | $54.7 |
| tert-Butyl 2,2,2-trichloroacetimidate 96% | 364789 | 25g | $127 |
| tert-Butyl 2,2,2-Trichloroacetimidate >95.0%(GC) | B1496 | 5mL | $48 |
| tert-Butyl 2,2,2-Trichloroacetimidate >95.0%(GC) | B1496 | 25mL | $146 |
| tert-Butyl 2,2,2-trichloroacetimidate ≥97% ≥97%(assay) | 242195 | 5g | $177 |
| More product size | |||
| Melting point | 21 °C(lit.) |
|---|---|
| Boiling point | 65 °C11 mm Hg(lit.) |
| Density | 1.222 |
| refractive index |
n |
| Flash point | 131 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in organic solvents, cyclo hexane. |
| form | Liquid or Low Melting Crystalline Mass |
| pka | 2.49±0.70(Predicted) |
| Specific Gravity | 1.222 |
| color | Clear colorless to pale yellow |
| Sensitive | Moisture Sensitive |
| BRN | 1770049 |
| Stability | Hygroscopic |
| InChI | 1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3 |
| InChIKey | CQXDYHPBXDZWBA-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=N)C(Cl)(Cl)Cl |
| CAS DataBase Reference | 98946-18-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H302-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P233-P240-P301+P312-P303+P361+P353-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 10-22-36/37/38 | |||||||||
| Safety Statements | 26-37/39-16-36/37-24/25 | |||||||||
| RIDADR | UN 1993 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-21 | |||||||||
| Hazard Note | Irritant/Moisture Sensitive | |||||||||
| TSCA | No | |||||||||
| HazardClass | 3.2 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29252900 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
|||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
tert-Butyl 2,2,2-trichloroacetimidate price More Price(92)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 364789 | tert-Butyl 2,2,2-trichloroacetimidate 96% | 98946-18-0 | 5g | $54.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 364789 | tert-Butyl 2,2,2-trichloroacetimidate 96% | 98946-18-0 | 25g | $127 | 2026-04-30 | Buy |
| TCI Chemical | B1496 | tert-Butyl 2,2,2-Trichloroacetimidate >95.0%(GC) | 98946-18-0 | 5mL | $48 | 2026-04-30 | Buy |
| TCI Chemical | B1496 | tert-Butyl 2,2,2-Trichloroacetimidate >95.0%(GC) | 98946-18-0 | 25mL | $146 | 2026-04-30 | Buy |
| Usbiological | 242195 | tert-Butyl 2,2,2-trichloroacetimidate ≥97% ≥97%(assay) | 98946-18-0 | 5g | $177 | 2026-06-03 | Buy |
tert-Butyl 2,2,2-trichloroacetimidate Chemical Properties,Uses,Production
Chemical Properties
Clear colorless to pale yellow liquid
Uses
tert-Butyl 2,2,2-trichloroacetimidate is used to produce di-tert-butyl peroxide at temperature of -5°C. It may be used in the synthesis of N-α-Fmoc-phospho(1-nitrophenylethyl-2-cyanoethyl)-L-serine, caged building block. It may be used in the conversion of alcohols and carboxylic acids to their respective ethers and esters.
Application
Tert-Butyl 2,2,2-trichloroacetimidate can be used as a reagent for the preparation of tert-butyl esters, tert-butyl ethers and tert-butyl amines.
Preparation
Potassium t-Butoxide (1.68 g, 15 mmol) was dissolved in t-butanol (30 mL) and this solution was added over 15 min to a stirred solution of Trichloroacetonitrile (21.6 g, 15 mL, 15 mmol) in dry diethyl ether (30 mL) cooled to 0 °C under nitrogen. The yellow mixture was allowed to warm to 20 °C over 1 h, and then heated to reflux for 1 h. After the reaction mixture had been cooled to rt, volatiles were removed on the rotary evaporator and the residual oil was dissolved in pentane (30 mL). The solution was filtered and the pentane was removed on the rotary evaporator. The residue was then distilled to yield 23 g (70%), bp 65-69 °C/12 mmHg, which solidified on storage.
Synthesis
865-47-4
545-06-2
75-65-0
98946-18-0
Tert-butyl trichloroacetimidate (TBTA) was synthesized as follows: 69 ml (0.069 mol) of potassium tert-butanolate (1 M in tert-butanol) was dissolved in 69 ml of diethyl ether. The above solution was slowly added dropwise to 69 ml of ether solution containing 100 g (0.69 mol) of trichloroacetonitrile over a period of 30 min at 0 °C. After the dropwise addition was completed, the reaction mixture was gradually warmed to room temperature over a period of 1 hour, followed by continued stirring under reflux conditions for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by evaporation under reduced pressure to give an oily product. The oily product was dissolved in 140 mL of hexane and filtered to remove the insoluble potassium salt. The filtrate was concentrated by reduced pressure evaporation and the residue was vacuum distilled. The fraction distilled at 2.4 mmHg and 40 °C was collected to give 105 g of tert-butyl trichloroacetimidate in 69% yield (as TCA). The structure of the product was confirmed by nuclear magnetic resonance hydrogen (1H NMR, 300 MHz, CDCl3) and carbon (13C NMR, 75.45 MHz, CDCl3) spectra with the following data: 1H NMR δ 1.58 (s, 9H), 8.21 (br, s, 1H); 13C NMR δ 27.23, 83.86, 92.78, 160.33 . (Ref: Armstrong et al.)
References
[1] Patent: WO2007/106546, 2007, A2. Location in patent: Page/Page column 12
tert-Butyl 2,2,2-trichloroacetimidate Preparation Products And Raw materials
Raw materials
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Suzhou Highfine Biotech Co.,Ltd. | +86-0512-68071238 +86-13771819922 | june@highfine.com | China | 489 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29815 | 58 |
| Shenzhen Nexconn Pharmatechs Ltd | +86-755-89396905 +86-15013857715 | admin@nexconn.com | China | 10403 | 58 |
| Jinan Carbotang Biotech Co.,Ltd. | +8615866703830 | figo.gao@foxmail.com | China | 8497 | 58 |
| Jinan Finer Chemical Co., Ltd | +86-531-88989536 +86-15508631887 | sales@finerchem.com | China | 2950 | 58 |
| Shandong chuangyingchemical Co., Ltd. | 18853181302 | sale@chuangyingchem.com | CHINA | 5906 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49979 | 58 |
| Jinan Liheng Biotechnology Co., Ltd. | 15865262812 | info@lihengpharm.com | CHINA | 938 | 58 |
View Lastest Price from tert-Butyl 2,2,2-trichloroacetimidate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-05-21 | tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
|
1KG | 99% | 500mt/year | Jinan Finer Chemical Co., Ltd | ||
 |
2025-12-01 | tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
|
1KG | 97.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2021-07-13 | tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd |
-
- tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
- $0.00
- 99%
- Jinan Finer Chemical Co., Ltd
-
- tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
- 97.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- tert-Butyl 2,2,2-trichloroacetimidate
98946-18-0
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
