Metolcarb

Base Information

• Chemical Name: Metolcarb
• CAS No.: 1129-41-5
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 29122900
• European Community (EC) Number: 214-446-0
• NSC Number: 91193
• UN Number: 2757
• UNII: 4N7OMZ879V
• DSSTox Substance ID: DTXSID8057938
• Nikkaji Number: J3.363D
• Wikipedia: Metolcarb
• Wikidata: Q6824213
• NCI Thesaurus Code: C163678
• Metabolomics Workbench ID: 55896
• ChEMBL ID: CHEMBL2046816
• Mol file: 1129-41-5.mol

Synonyms:3-methylphenyl-N-methyl carbamate;m-tolylmethylcarbamate;metacrate;MTMC;tsumacide

Chemical Property of Metolcarb

Chemical Property:

• Appearance/Colour: yellow liquid
• Vapor Pressure: 0.000358mmHg at 25°C
• Melting Point: 74-77 °C
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: 12.38±0.46(Predicted)
• Flash Point: 99.9 °C
• PSA: 38.33000
• Density: 1.085 g/cm³
• LogP: 2.10410
• Storage Temp.: 0-6°C
• Water Solubility.: 2600 mg l-1 (30 °C)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159
• Transport DOT Label: Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

Metolcarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Carbamate Insecticides
• Canonical SMILES: CC1=CC(=CC=C1)OC(=O)NC
• Description: Metolcarb (17), m-tolyl methylcarbamate (IUPAC), C9H11NO2, MW 165.2, mp 76–77 ?C, is a colorless solid that is moderately soluble in water and is readily soluble in polar organic solvents.
• Uses: Metolcarb is used to control planthoppers, leafhoppers and other sucking pests on rice. It is also used for control of citrus mealybugs, onion thrips, Mediterranean fruit flies, pink bollworms and cotton aphids.

Technology Process of Metolcarb

There total 5 articles about Metolcarb which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

phosgene (75-44-5) + 3-methyl-phenol (108-39-4) → metolcarb (1129-41-5)

Guidance literature:

With methylamine; In toluene;

Reference yield: 54.0%

Carbonic acid chloromethyl ester m-tolyl ester (132905-78-3) + methylamine (74-89-5) → metolcarb (1129-41-5)

Guidance literature:

In hexane; water; for 2h; Ambient temperature;

Reference yield:

3-methyl-phenol (108-39-4) → metolcarb (1129-41-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 79.3 percent / Et₃N / CH₂Cl₂ / 1.67 h / 5 °C

2: 54 percent / H₂O; hexane / 2 h / Ambient temperature

With triethylamine; In hexane; dichloromethane; water;

upstream raw materials:

3-methyl-phenol

methyl isocyanate

Carbonic acid chloromethyl ester m-tolyl ester

methylamine

Downstream raw materials:

Chloromethyl-methyl-carbamic acid m-tolyl ester

Refernces

• 1、 -. "Pesticidal composition containing a microencapsulated organo-phosphorus or carbamate in a pyrethroid dispersion". . . Retrieved 2008/06/13.
• 2、 -. "Pyrazole oxime derivatives and compositions". . . Retrieved 2008/06/13.