1,1,1-trichloroacetone, also known as 1,1,1-trichloro-2-propanone, is an organic compound with the formula CH3COCCl3. It's a colorless liquid with a pungent odor. Here's why it's important for research:
**Properties and Uses:**
* **Strong electrophile:** The three chlorine atoms attached to the carbonyl group make 1,1,1-trichloroacetone a potent electrophile. This property makes it a valuable reagent in organic synthesis.
* **Versatile starting material:** It can be used to synthesize a variety of other compounds, including:
* **Chlorinated hydrocarbons:** It's used as a precursor for other chlorinated compounds, some of which have industrial applications.
* **Pharmaceuticals:** It can be used to synthesize some pharmaceutical intermediates.
* **Polymers:** It can be incorporated into polymers to modify their properties.
* **Analytical reagent:** It can be used as a reagent in analytical chemistry, particularly in the determination of certain metals.
**Research Significance:**
* **Novel synthetic applications:** Ongoing research focuses on exploring new and efficient ways to utilize 1,1,1-trichloroacetone in organic synthesis. This includes developing new reactions and catalytic systems for its use in various applications.
* **Environmental studies:** Due to its potential environmental impact, research is conducted on its degradation, fate, and potential toxicity in the environment.
* **Medical and biological applications:** 1,1,1-trichloroacetone has shown some potential applications in medicine and biology, but research in these areas is still in its early stages.
**Important Note:**
1,1,1-trichloroacetone is a toxic and corrosive substance. It should be handled with care in well-ventilated areas and appropriate safety precautions should be taken.
**In summary, 1,1,1-trichloroacetone is a valuable reagent for research due to its unique properties and diverse applications. However, its use requires careful consideration of safety concerns.**
ID Source | ID |
---|---|
PubMed CID | 13514 |
CHEMBL ID | 3185648 |
SCHEMBL ID | 136756 |
MeSH ID | M0162134 |
Synonym |
---|
hsdb 7625 |
unii-nw27zg5lda |
nw27zg5lda , |
AKOS015848746 |
nsc2645 |
trichloroacetone |
.alpha.,.alpha.-trichloroacetone |
1,1-trichloro-2-propanone |
1,1-trichloroacetone |
918-00-3 |
1,1-trichloropropanone |
nsc-2645 |
2-propanone,1,1-trichloro- |
2-propanone, 1,1,1-trichloro- |
.alpha.,.alpha.,.alpha.-trichloroacetone |
1,1,1-trichloroacetone |
1,1,1-trichloropropanone |
alpha,alpha,alpha-trichloroacetone |
ccris 7196 |
brn 1748883 |
ai3-19851 |
nsc 2645 |
inchi=1/c3h3cl3o/c1-2(7)3(4,5)6/h1h |
1,1,1-trichloropropan-2-one |
T1376 |
1,1,1-trichloro-2-propanone |
NCGC00248963-01 |
dtxsid5021679 , |
dtxcid001679 |
tox21_201222 |
cas-918-00-3 |
NCGC00258774-01 |
72497-18-8 |
2-propanone, trichloro- |
FT-0605937 |
1,1,1-trichloroacetone [hsdb] |
trichloromethyl methyl ketone |
SCHEMBL136756 |
ccl3coch3 |
CHEMBL3185648 |
mfcd00018829 |
CS-0207254 |
1,1,1-trichloro-propan-2-one |
Q27285080 |
D92479 |
EN300-194643 |
Excerpt | Reference | Relevance |
---|---|---|
" It was concluded that 16 mg/kg was the NOAEL (no observed adverse effect level) for the 10-d study while 30 mg/kg was the NOAEL for the 90-d exposure of Sprague-Dawley rats to 1,1,1,-trichloro-2-propanone." | ( Toxicity of 1,1,1-trichloro-2-propanone in Sprague-Dawley rats. Daniel, FB; Olson, GR; Page, NP; Robinson, M; Stober, JA, 1993) | 0.29 |
Excerpt | Relevance | Reference |
---|---|---|
" The amount of IOM with higher DBPFP leaked from both algae species increased with the chlorine dosage, indicating that chlorine dosage should be considered carefully in the treatment of eutrophic water for less destroying of the cell integrity." | ( Evaluation of disinfection by-product formation potential (DBPFP) during chlorination of two algae species--Blue-green Microcystis aeruginosa and diatom Cyclotella meneghiniana. Huang, CH; Liao, X; Liu, J; Ma, H; Yang, M; Yuan, B, 2015) | 0.42 |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 76.9199 | 0.0072 | 15.7588 | 89.3584 | AID1224835 |
acetylcholinesterase | Homo sapiens (human) | Potency | 63.5847 | 0.0025 | 41.7960 | 15,848.9004 | AID1347395; AID1347397; AID1347399 |
hypoxia-inducible factor 1 alpha subunit | Homo sapiens (human) | Potency | 10.5877 | 3.1890 | 29.8841 | 59.4836 | AID1224846 |
RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 9.5375 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521; AID1159523 |
GLI family zinc finger 3 | Homo sapiens (human) | Potency | 5.4342 | 0.0007 | 14.5928 | 83.7951 | AID1259369; AID1259392 |
AR protein | Homo sapiens (human) | Potency | 10.2939 | 0.0002 | 21.2231 | 8,912.5098 | AID1259243; AID1259247; AID743035; AID743042; AID743054; AID743063 |
estrogen receptor 2 (ER beta) | Homo sapiens (human) | Potency | 10.4959 | 0.0006 | 57.9133 | 22,387.1992 | AID1259378 |
nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 20.5590 | 0.0010 | 22.6508 | 76.6163 | AID1224838; AID1224893 |
progesterone receptor | Homo sapiens (human) | Potency | 23.4975 | 0.0004 | 17.9460 | 75.1148 | AID1346795 |
retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 29.5816 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159555 |
estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 6.8461 | 0.0015 | 30.6073 | 15,848.9004 | AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403 |
farnesoid X nuclear receptor | Homo sapiens (human) | Potency | 44.7220 | 0.3758 | 27.4851 | 61.6524 | AID743220; AID743239 |
pregnane X nuclear receptor | Homo sapiens (human) | Potency | 23.4975 | 0.0054 | 28.0263 | 1,258.9301 | AID1346982 |
estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 10.0707 | 0.0002 | 29.3054 | 16,493.5996 | AID1259244; AID1259248; AID743069; AID743075; AID743078; AID743079; AID743080; AID743091 |
peroxisome proliferator-activated receptor delta | Homo sapiens (human) | Potency | 23.3103 | 0.0010 | 24.5048 | 61.6448 | AID743212; AID743227 |
peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 0.4729 | 0.0010 | 19.4141 | 70.9645 | AID743191 |
vitamin D (1,25- dihydroxyvitamin D3) receptor | Homo sapiens (human) | Potency | 10.7734 | 0.0237 | 23.2282 | 63.5986 | AID743222; AID743223 |
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a | Homo sapiens (human) | Potency | 13.2136 | 0.0017 | 23.8393 | 78.1014 | AID743083 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 23.4975 | 0.0016 | 28.0151 | 77.1139 | AID1259385 |
activating transcription factor 6 | Homo sapiens (human) | Potency | 59.5391 | 0.1434 | 27.6121 | 59.8106 | AID1159516 |
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a | Homo sapiens (human) | Potency | 10.5877 | 19.7391 | 45.9784 | 64.9432 | AID1159509 |
thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 2.6539 | 0.0003 | 23.4451 | 159.6830 | AID743065; AID743067 |
heat shock protein beta-1 | Homo sapiens (human) | Potency | 29.8402 | 0.0420 | 27.3789 | 61.6448 | AID743210 |
nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 59.0230 | 0.0006 | 27.2152 | 1,122.0200 | AID743202 |
Voltage-dependent calcium channel gamma-2 subunit | Mus musculus (house mouse) | Potency | 11.7766 | 0.0015 | 57.7890 | 15,848.9004 | AID1259244 |
Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 1.3214 | 0.0023 | 19.5956 | 74.0614 | AID651631 |
Glutamate receptor 2 | Rattus norvegicus (Norway rat) | Potency | 11.7766 | 0.0015 | 51.7393 | 15,848.9004 | AID1259244 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 2 (22.22) | 18.7374 |
1990's | 1 (11.11) | 18.2507 |
2000's | 2 (22.22) | 29.6817 |
2010's | 4 (44.44) | 24.3611 |
2020's | 0 (0.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (26.04) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 9 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |