CID 11862339

Base Information

• Chemical Name: CID 11862339
• CAS No.: 6389-79-3
• Molecular Formula: C8H11O2P
• Molecular Weight: 170.148
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40980812
• Nikkaji Number: J2.821.408A
• Wikidata: Q82966850
• Mol file: 6389-79-3.mol

Synonyms:DTXSID40980812

Chemical Property of CID 11862339

Chemical Property:

• Vapor Pressure: 0.096mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 231.1 °C at 760 mmHg
• Flash Point: 107.7 °C
• PSA: 36.11000
• Density: 1.09 g/cm³
• LogP: 1.86620
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.04966659
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL METHYLPHENYLPHOSPHINATE 98.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(C)C1=CC=CC=C1
• Isomeric SMILES: CO[P@@](=O)(C)C1=CC=CC=C1

Technology Process of CID 11862339

There total 64 articles about CID 11862339 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: 95.0%

phenylphosphonous acid dimethyl ester (2946-61-4) → methyl methylphenylphosphinate (6389-79-3)

Guidance literature:

With trifluorormethanesulfonic acid; at 60 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c9gc01254k

Reference yield: 90.0%

methanol (67-56-1) → methyl methylphenylphosphinate (6389-79-3) + 5-chloro-4-methyl-2-phenyl-3a,7a-dihydro-isoindole-1,3-dione + 5-chloro-6-methyl-2-phenyl-3a,7a-dihydro-isoindole-1,3-dione

Guidance literature:

In acetonitrile; at 26 ℃; for 2h; Irradiation;

DOI:10.1016/S0022-328X(98)00855-9

Reference yield: 90.0%

methanol (67-56-1) + (R)-((S)-2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)(methyl)(phenyl)phosphine oxide → (+)-(R)p methyl methylphenylphosphinate (6389-79-3)

Guidance literature:

With sulfuric acid; at -78 ℃; for 2h; enantioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/d1cc00646k

upstream raw materials:

methanol

methyl(phenyl)phosphinic chloride

N,N-dimethyl-aniline

Dichlorophenylphosphine

Downstream raw materials:

(S)-P-methyl-P-phenylphosphinic amide

Refernces

• 1、 Bagi, Péter,Fogassy, Elemér,Herbay, Réka,Holczbauer, Tamás,Keglevich, Gy?rgy,Mátrav?lgyi, Béla,Madarász, János,Székely, Gy?rgy,Varga, Bence. "Scalable Enantiomeric Separation of Dialkyl-Arylphosphine Oxides Based on Host–Guest Complexation with TADDOL-Derivatives, and their Recovery". supporting information. . Retrieved 2020/03/23.
• 2、 Li, Chunya,Wang, Qi,Zhang, Jian-Qiu,Ye, Jingjing,Xie, Ju,Xu, Qing,Han, Li-Biao. "Water determines the products: An unexpected Br?nsted acid-catalyzed PO-R cleavage of P(iii) esters selectively producing P(O)-H and P(O)-R compounds". supporting information. p. 2916 - 2922. Retrieved 2019/06/18.