| Identification | Back Directory | [Name]
Benthiavalicarb-isopropyl | [CAS]
177406-68-7 | [Synonyms]
valbon
Benthiavalic
BENTHIARALICARB-ISOPROPYL
BenthiavalicarBeta-isopropyl
Benthiavalicarb-isopropyl Standard
Benthiavalicarb-isopropyl Solution
Benthiavalicarb-isopropyl@10 μg/mL in Acetone
Benthiavalicarb-isopropyl@1000 μg/mL in Acetonitrile
isopropyl {(S)-1-[(R)-1-(6-fluorobenzothiazol-2-yl)ethylcarbaMoyl]-2-Methylpropyl}carbaMate
1-Methylethyl [(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamate
Carbamic acid, N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-, 1-methylethyl ester | [Molecular Formula]
C18H24FN3O3S | [MDL Number]
MFCD08690472 | [MOL File]
177406-68-7.mol | [Molecular Weight]
381.46 |
| Chemical Properties | Back Directory | [Melting point ]
152℃ | [Boiling point ]
550.6±40.0 °C(Predicted) | [density ]
1.222 | [storage temp. ]
-20°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
11.34±0.46(Predicted) | [color ]
Off-White to Pale Beige | [Henry's Law Constant]
1.1×102 mol/(m3Pa) at 25℃, MacBean (2012) | [Major Application]
agriculture
environmental | [InChI]
1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15/m1/s1 | [InChIKey]
USRKFGIXLGKMKU-ZRKZCGFPSA-N | [SMILES]
CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 | [EPA Substance Registry System]
Benthiavalicarb-isopropyl (177406-68-7) |
| Hazard Information | Back Directory | [Description]
Benthiavalicarb isopropyl is a fungicide. It has a moderate aqueous solubility, volatile and presents a moderate risk of leaching to groundwater. It is not expected to persist in soils but could persist in aqueous systems under some conditions. It has a low mammalian oral toxicity and may cause adverse reproduction/fertility effects. It is also an endocrine disruptor and may also be carcinogenic. Benthiavalicarb isopropyl is moderately toxic to fish, aquatic invertebrates, algae, earthworms and honeybees. | [Uses]
Benthiavalicarb isopropyl may be used as an analytical reference standard for the determination of benthiavalicarb isopropyl in:
- Fruits and vegitables by ultra-performance liquid chromatography coupled to quadrupole-time-of-flight-mass spectrometry (UPLC-QTOF-MS) equipped with automated detection.
- Food samples and human serum samples by QuEChERS (quick, easy, cheap, effective, rigged, and safe) extraction LC coupled to electrospray ionization-tandem mass spectrometry (ESI-MS/MS) equipped with multiple reaction monitoring (MRM) detection.
- Chinese cabbage and cucumber samples by QuEChERS extraction, primary secondary amine dispersive solid-phase extraction (PSA d-SPE) and LC-ESI-MS/MS with selected reaction monitoring (SRM) detection.
', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. | [Definition]
ChEBI: A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide. | [Production Methods]
Benthiavalicarb-isopropyl is commercially produced through a multi-step synthesis involving heterocyclic and amino acid chemistry. The process begins with p-fluorocyclohexanone, which undergoes iodine-catalysed oxidative cyclisation to form 2-amino-6-fluorobenzothiazole. This intermediate is converted to 2-amino-5-fluorothiophenol, which is then reacted with a chiral azolidine-2,5-dione derived from beta-alanine to yield a key amine intermediate. Separately, L-valine is reacted with isopropyl chloroformate to form N-isopropoxycarbonyl-L-valine, which is activated and coupled in a one-pot reaction with the amine intermediate to produce benthiavalicarb-isopropyl. | [Mechanism of action]
Protective and curative action with residual effects, inhibits phospholipid biosynthesis | [Pesticide Type]
Fungicide |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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