Alanycarb

Base Information

• Chemical Name: Alanycarb
• CAS No.: 83130-01-2
• Molecular Formula: C₁₇H₂₅N₃O₄S₂
• Molecular Weight: 399.535
• European Community (EC) Number: 617-442-0
• UNII: 767O73WB8X
• DSSTox Substance ID: DTXSID5058195
• Metabolomics Workbench ID: 55876
• Mol file: 83130-01-2.mol

Synonyms:Alanycarb;83130-01-2;Alanycarb [ISO];OK 135;UNII-767O73WB8X;767O73WB8X;5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid, 3,7-dimethyl-6-oxo-9-(phenylmethyl)-, ethyl ester, (Z)-;ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate;ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate;ethyl N-benzyl-N-({methyl[({[(1Z)-1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-beta-alaninate;Alanycarb 100 microg/mL in Cyclohexane;SCHEMBL27410;DTXSID5058195;CHEBI:38463;GMAUQNJOSOMMHI-JXAWBTAJSA-;C17H25N3O4S2;C17-H25-N3-O4-S2;LS-99386;Alanycarb, PESTANAL(R), analytical standard;C18414;ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phe;ethyl (3Z)-3,7-dimethyl-6-oxo-9-(phenylmethyl)-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate;Ethyl (Z)-3-[N-benzyl-N-[[methyl(1-methylthio-ethylideneamino-oxycarbonyl)amino]thio]amino]propionate;ETHYL (Z)-N-BENZYL-N-((METHYL(1-METHYLTHIOETHYLIDENEAMINOOXYCARBONYL)AMINO)THIO)-.BETA.-ALANINATE;InChI=1/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-

Chemical Property of Alanycarb

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 47～52℃
• Refractive Index: 1.558
• Boiling Point: 506.2 °C at 760 mmHg
• PKA: 0.37±0.70(Predicted)
• Flash Point: 259.9 °C
• PSA: 122.04000
• Density: 1.18 g/cm³
• LogP: 3.76980
• Storage Temp.: 0-6°C
• Water Solubility.: 20 mg l-1 in water (20 °C)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 399.12864863
• Heavy Atom Count: 26
• Complexity: 471

Purity/Quality:

99.9% ^*data from raw suppliers

Alanycarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,N
• Hazard Codes: T+,N
• Statements: 22-26-50
• Safety Statements: 28-36/37-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC
• Isomeric SMILES: CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(/C)\SC
• Uses: Alanycarb is a oxime carbamate inseciticide with acetylcholinesterase inhibitor activity. Alanycarb is a broad spectrum oxime carbamate insecticide with both contact and oral toxicity to a wide variety of insect pests, especially Lepidoptera, Coleoptera, Hemiptera and Thysanoptera, in/on grapes, pome fruits, tobacco and vegetables. Alanycarb can be applied as foliar, soil or seed treatments. Alanycarb may be used as an analytical reference standard for the determination of the analyte in:Olive oil samples by fast liquid chromatography-electrospray time-of-flight mass spectrometry (LC-TOFMS).Vegetables and fruit juices by LC coupled to tandem mass spectrometry (MS/MS).

Technology Process of Alanycarb

There total 1 articles about Alanycarb 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:

→ ethyl (Z)-N-benzyl-N-[{methyl(1-methylthioethylideneamino-oxycarbonyl)amino}thio]-β-alaninate (83130-01-2)

Guidance literature:

Refernces