Fenobucarb

Base Information

• Chemical Name: Fenobucarb
• CAS No.: 3766-81-2
• Deprecated CAS: 12773-35-2,145846-59-9,145846-59-9
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 29224999
• European Community (EC) Number: 223-188-8
• UNII: 5MS2P7M0CF
• DSSTox Substance ID: DTXSID4058077
• Nikkaji Number: J3.059G
• Wikipedia: Fenobucarb
• Wikidata: Q3268119
• NCI Thesaurus Code: C163657
• Metabolomics Workbench ID: 54961
• ChEMBL ID: CHEMBL226650
• Mol file: 3766-81-2.mol

Synonyms:2-(1-methylpropyl)phenyl methylcarbamate;BPMC;Fenobucarb;o-sec-butylphenyl N-methylcarbamate

Chemical Property of Fenobucarb

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.00333mmHg at 25°C
• Melting Point: 31.75°C
• Refractive Index: 1.504
• Boiling Point: 282.5 °C at 760 mmHg
• PKA: 12.24±0.46(Predicted)
• Flash Point: 124.7 °C
• PSA: 38.33000
• Density: 1.023 g/cm³
• LogP: 3.30920
• Storage Temp.: 0-6°C
• Water Solubility.: 89mg/L(22 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Fenobucarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn;N,N,Xn,T,F
• Statements: 22-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 60-61-45-24-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C1=CC=CC=C1OC(=O)NC
• Uses: Fenobuccarb is a carbamate insecticide used as an agricultural insecticide on rice and cotton.

Technology Process of Fenobucarb

There total 2 articles about Fenobucarb 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: 60.0%

2-sec-butylphenol (89-72-5) + methyl N-methylcarbamate (6642-30-4) → o-sec-butylphenyl-N-methylcarbamate (3766-81-2)

Guidance literature:

With trichlorophosphate; at 60 ℃; 7-8 h;

DOI:10.1016/S0040-4020(01)86381-X

Reference yield:

→ o-sec-butylphenyl-N-methylcarbamate (3766-81-2)

Guidance literature:

2-sec. Butylphenol, MeNCO (II);

Reference yield:

o-sec-butylphenyl-N-methylcarbamate (3766-81-2) → 2-sec-butylphenol (89-72-5) + carbon dioxide (124-38-9,18923-20-1) + methylamine (74-89-5)

Guidance literature:

With borate buffer; cetyltrimethylammonim bromide; In water; at 100 ℃; for 0.00833333h; pH=9.0; Further Variations:; Temperatures; Product distribution;

DOI:10.1021/ac990928d

upstream raw materials:

2-sec-butylphenol

methyl N-methylcarbamate

Downstream raw materials:

Chloromethyl-methyl-carbamic acid 2-sec-butyl-phenyl ester

2-sec-butylphenol

N-Methylcarbaminsaeure-o-(1-hydroxy-1-methylpropyl)-phenylester

Carbaminsaeure-o-sec-butylphenylester

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.