Methoprotryne

Base Information

• Chemical Name: Methoprotryne
• CAS No.: 841-06-5
• Molecular Formula: C11H21 N5 O S
• Molecular Weight: 271.387
• Hs Code.: 2933699012
• European Community (EC) Number: 212-664-0
• UNII: 31X54QGQ17
• DSSTox Substance ID: DTXSID2040286
• Nikkaji Number: J9.467F
• Wikidata: Q22808393
• Mol file: 841-06-5.mol

Synonyms:METHOPROTRYNE;841-06-5;Methoproptryne;Methoprotryn;Metoprotryne;Methotryne;Metoprotryn;Caswell No. 509A;Methoprotryne [BSI:ISO];Metoprotryne [ISO-French];HSDB 1728;EINECS 212-664-0;G 36393;G-36393;EPA Pesticide Chemical Code 509200;2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-s-triazine;BRN 0616626;UNII-31X54QGQ17;1,3,5-Triazine-2,4-diamine, N-(3-methoxypropyl)-N'-(1-methylethyl)-6-(methylthio)-;4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-Methylthio-4-isopropylamino-6-(3-methoxypropylamino)-s-triazine;31X54QGQ17;2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-1,3,5-triazine;s-Triazine, 2-(isopropylamino)-4-((3-methoxypropyl)amino)-6-(methylthio)-;2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-1,3,5-triazin [German];4-Isopropylamino-6-(3'-methoxypropylamino)-2-methylthio-1,3,5-triazin [German];4-Isopropylamino-6-(3'-methoxypropylamino)-2-methythio-1,3,5-triazin [German];N-Isopropyl-N-(3-methoxyypropyl)-6-methylthio-1,3,5-triazine-2,4-diamine;N2-Isopropyl-N4-(3-methoxypropyl)-6-methylthio-1,3,5-triazine-2,4-diamine;N-(3-Methoxypropyl)-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine;2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-1,3,5-triazin;4-Isopropylamino-6-(3'-methoxypropylamino)-2-methythio-1,3,5-triazin;4-Isopropylamino-6-(3'-methoxypropylamino)-2-methylthio-1,3,5-triazin;s-Triazine, 2-(isopropylamino)-4-[(3-methoxypropyl)amino]-6-(methylthio)-;Gesaran 25;GESARAN-25;METHOPROTRYNE [ISO];METHOPROTRYNE [HSDB];SCHEMBL136002;C11H21N5OS;DTXSID2040286;CHEBI:82226;C11-H21-N5-O-S;Pesticide5_Methoprotryne_C11H21N5OS_;NCGC00160632-01;LS-155449;C19104;Methoprotryne, PESTANAL(R), analytical standard;Q22808393;2-ISOPROPYLAMINO-4-(.GAMMA.-METHOXYPROPYLAMINO)-6-METHYLTHIOTRIAZINE;4-Isopropylamino-6-(3'-methoxypropylamino)-2-methythio-1,3,5-triazine;2-(METHYLTHIO)-4-(ISOPROPYLAMINO)-6-(3-METHOXYPROPYLAMINO)-S-TRIAZINE;2-METHYLTHIO-4-ISOPROPYLAMINO-6-(.GAMMA.-METHOXYPROPYL)AMINO-1,3,5-TRIAZINE;2-METHYLTHIO-4-ISOPROPYLAMINO-6-(.GAMMA.-METHOXYPROPYLAMINO)-S-TRIAZINE;N-(3-Methoxypropyl)-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (9CI);N2-Isopropyl-N4-(3-methoxypropyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine;1,3,5-TRIAZINE-2,4-DIAMINE, N2-(3-METHOXYPROPYL)-N4-(1-METHYLETHYL)-6-(METHYLTHIO)-;N(SUP 2)-ISOPROPYL-N(SUP 4)-(3-METHOXYPROPYL)-6-METHYLTHIO-1,3,5-TRIAZINE-2,4-DIAMINE

Chemical Property of Methoprotryne

Chemical Property:

• Vapor Pressure: 4.39E-08mmHg at 25°C
• Melting Point: 68-70℃ (ligroine )
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 444.1oC at 760 mmHg
• PKA: 3?+-.0.41(Predicted)
• Flash Point: 222.4oC
• PSA: 97.26000
• Density: 1.15g/cm3
• LogP: 2.00820
• Storage Temp.: 0-6°C
• Water Solubility.: 0.32g/L(20 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 271.14668148
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

99.90% ^*data from raw suppliers

Methoprotryne PESTANAL ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/38
• Safety Statements: 26-28-24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Triazine
• Canonical SMILES: CC(C)NC1=NC(=NC(=N1)NCCCOC)SC

Technology Process of Methoprotryne

There total 2 articles about Methoprotryne 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: 97.0%

6-chloro-N2-isopropyl-N4-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (1824-09-5) + carbonic acid dimethyl ester (616-38-6) → 2-Methylmercapto-4-isopropylamino-6-(3-methoxypropylamino)-s-triazine (841-06-5)

Guidance literature:

With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate; In dimethyl sulfoxide; at 120 ℃; Inert atmosphere;

Reference yield:

→ 2-Methylmercapto-4-isopropylamino-6-(3-methoxypropylamino)-s-triazine (841-06-5)

Guidance literature:

upstream raw materials:

6-chloro-N²-isopropyl-N⁴-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

carbonic acid dimethyl ester

Refernces

• 1、 -. "Methyl aryl thioether compound, and synthetic method and applications thereof". Paragraph 0194; 0195; 0196. . Retrieved 2017/07/21.