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Name |
Kresoxim-methyl |
EINECS | 604-351-6 |
CAS No. | 143390-89-0 | Density | 1.1 g/cm3 |
PSA | 57.12000 | LogP | 3.09750 |
Solubility | 2 mg/L (20 °C ) in water | Melting Point |
98-100 °C |
Formula | C18H19NO4 | Boiling Point | 429.4 °C at 760 mmHg |
Molecular Weight | 313.353 | Flash Point | 171.2 °C |
Transport Information | UN 3077 9/PG 3 | Appearance | N/A |
Safety | 2-36/37-60-61 | Risk Codes | 40-50/53 |
Molecular Structure | Hazard Symbols | Xn,N | |
Synonyms |
Bas 490F;Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate;BAS 490 F;Benzeneacetic acid,R-(methoxyimino)-2-[(2- methylphenoxy)methyl]-,methyl ester,(RE)-;Methyl (E)-2-methoxyimino-(2-(o-tolyloxymethyl)Phenyl)Acetate;Kresoxim methyl; |
Article Data | 16 |
N-methoxylamine hydrochloride
2-oxo-2-(((o-tolyl)oxymethyl)phenyl)acetic acid methyl ester
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
In methanol for 6h; Reflux; | 84.8% |
ortho-cresol
methyl (E)-2-[2-(bromomethyl)phenyl]-2-(methoxyimino)acetate
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
With copper(l) iodide In butanone for 4h; Concentration; Reagent/catalyst; Reflux; | 80% |
N-methoxylamine hydrochloride
2-oxo-2-(((o-tolyl)oxymethyl)phenyl)acetic acid methyl ester
A
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
B
methyl (Z)-O-methyloximino-2-[(2-methyl)phenoxymethyl]phenylacetate
Conditions | Yield |
---|---|
In pyridine at 20℃; for 17.5h; Condensation; | A 63% B 28% |
methyl (Z)-O-methyloximino-2-[(2-methyl)phenoxymethyl]phenylacetate
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
With iodine In benzene at 63℃; for 120h; Isomerization; UV-irradiation; |
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 61 percent / Pd(PPh3)4 / tetrahydrofuran / 4 h / 0 °C 2: 63 percent / pyridine / 17.5 h / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1: 61 percent / Pd(PPh3)4 / tetrahydrofuran / 4 h / 0 °C 2: 28 percent / pyridine / 17.5 h / 20 °C 3: I2 / benzene / 120 h / 63 °C / UV-irradiation View Scheme |
2-oxo-2-(((o-tolyl)oxymethyl)phenyl)acetic acid methyl ester
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 28 percent / pyridine / 17.5 h / 20 °C 2: I2 / benzene / 120 h / 63 °C / UV-irradiation View Scheme |
methyl 2-(2-methylphenoxymethyl)phenylglyoxylate dimethyl acetal
N-methoxylamine hydrochloride
2-oxo-2-(((o-tolyl)oxymethyl)phenyl)acetic acid methyl ester
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; dichloromethane |
methyl E-2-(2-methylphenoxymethyl)phenylglyoxylate oxime
methylene chloride
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
With sodium methylate In 1-methyl-pyrrolidin-2-one; methanol; diethyl ether |
(E)-methyl 2-(2-(chloromethyl)phenyl)-2-(methoxyimino)acetate
ortho-cresol
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20 - 50℃; for 64h; |
2-[(2-methylphenoxy)methyl]benzoic acid
methyl (E)-2-methoxyimino-2-[2-(o-tolyloxymethyl)phenyl]acetate
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: thionyl chloride / 3 h / Reflux 2.1: tetrabutylammomium bromide / toluene / 2.5 h / 20 - 35 °C 3.1: hydrogenchloride; acetic anhydride / tert-butyl methyl ether / 10 h / -5 - 30 °C 3.2: 5 h / Reflux 4.1: methanol / 6 h / Reflux View Scheme |
Molecular Structure of Kresoxim-methyl (CAS NO.143390-89-0):
IUPAC Name: Methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
Molecular Formula: C18H19NO4
Molecular Weight: 313.35 g/mol
Density: 1.1 g/cm3
Melting Point: 98-100 °C
Boiling Point: 429.4 °C at 760 mmHg
Flash Point: 171.2 °C
Water Solubility: 2 mg/L (20 °C )
Storage Temp: 0-6 °C
Index of Refraction: 1.53
Molar Refractivity: 87.92 cm3
Molar Volume: 284.1 cm3
Surface Tension: 36.8 dyne/cm
XLogP3-AA: 4.1
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 313.131408
MonoIsotopic Mass: 313.131408
Topological Polar Surface Area: 57.1
Heavy Atom Count: 23
Canonical SMILES: CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC
Isomeric SMILES: CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC
InChI: InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
InChIKey: ZOTBXTZVPHCKPN-HTXNQAPBSA-N
Product Categories of Kresoxim-methyl (CAS NO.143390-89-0): Agricultural chemicals(bactericide)
1. | orl-rat LD50:5000 mg/kg | FEREAC Federal Register. 64 (1999),31130. | ||
2. | skn-rat LD50:2000 mg/kg | FEREAC Federal Register. 64 (1999),31130. | ||
3. | ihl-rat LC50:5.6 g/m3 | FEREAC Federal Register. 64 (1999),31130. |
Hazard Codes: Xn, N
Risk Statements: 40-50/53
R40:Limited evidence of a carcinogenic effect.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 2-36/37-60-61
S2:Keep out of the reach of children.
S36/37:Wear suitable protective clothing and gloves.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3077 9/PG 3
Moderately toxic by skin contact. Low toxicity by ingestion and inhalation. Questionable carcinogen with experimental data reported. When heated to decomposition it emits toxic vapors of NOx.
Kresoxim-methyl (CAS NO.143390-89-0) is also named as Bas 490F ; HSDB 7020 ; Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate ; Benzeneacetic acid, alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)-, methyl ester, (E)- .