Methyl N-Hydroxy-2-methylphenylcarbamate - CAS 151830-35-2
Catalog: |
BB060238 |
Product Name: |
Methyl N-Hydroxy-2-methylphenylcarbamate |
CAS: |
151830-35-2 |
Synonyms: |
methyl hydroxy(o-tolyl)carbamate; Methyl N-hydroxy-N-(2-methylphenyl)carbamate; Methyl N-hydroxy-N-2-methylphenylcarbamate |
IUPAC Name: | methyl N-hydroxy-N-(2-methylphenyl)carbamate |
Description: | Methyl N-Hydroxy-2-methylphenylcarbamate is an intermediate in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CC1=CC=CC=C1N(C(=O)OC)O |
InChI: | InChI=1S/C9H11NO3/c1-7-5-3-4-6-8(7)10(12)9(11)13-2/h3-6,12H,1-2H3 |
InChI Key: | JOZFRGBAVMTVLW-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Beige Solid |
Storage: | -20°C Freezer |
References: | Huang, C., et al. J. Sep., 40, 2335-2343 (2017). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
RU-2698300-C1 | Substituted methyl-n-methoxycarbamates | 20180704 |
EP-3357905-A1 | The preparation of n-substituted aromatic hydroxylamines | 20170201 |
WO-2018141751-A1 | Production of n-substituted aromatic hydroxylamine | 20170201 |
EP-3577105-B1 | Preparation of n-substituted aromatic hydroxylamines | 20170201 |
CN-104557712-A | Preparation methods of aromatic hydroxylamine compound and N-aromatic acylated hydroxylamine compound | 20141226 |
US-2013005986-A1 | N-Carbomethoxy-N-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3'-yloxymethylene)-anilides | 20100318 |
US-8642780-B2 | N-carbomethoxy-N-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3′-yloxymethylene)-anilides | 20100318 |
EP-1347952-A1 | Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides | 20001208 |
EP-1347952-A4 | ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES | 20001208 |
JP-2004515486-A | Aryl and heteroaryl cyclopropyl oxime ethers and their use as fungicides | 20001208 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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