Methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

Base Information

• Chemical Name: Methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide
• CAS No.: 27315-40-8
• Molecular Formula: C₆H₁₀ClO₅P
• Molecular Weight: 228.569
• NSC Number: 110713
• DSSTox Substance ID: DTXSID60296664
• Mol file: 27315-40-8.mol

Synonyms:methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide;27315-40-8;NSC110713;DTXSID60296664;NSC-110713;methyl 2-chloro-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinane-5-carboxylate

Chemical Property of Methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

Chemical Property:

• Vapor Pressure: 0.154mmHg at 25°C
• Boiling Point: 214.6°Cat760mmHg
• Flash Point: 63.6°C
• Density: 1.39g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 227.9954381
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COP(=O)(OC1)Cl)C(=O)OC

Technology Process of Methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

There total 1 articles about Methyl 2-chloro-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide 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:

3-hydroxy-2-hydroxymethyl-2-methylpropionic acid methyl ester (17872-55-8) → 2-Chloro-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester (27315-40-8)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/jps.2600590634

Reference yield:

2-Chloro-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester (27315-40-8) + cyclohexylamine (108-91-8,157973-60-9) → 2-Cyclohexylamino-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester (27247-45-6)

Guidance literature:

With triethylamine; In acetone;

DOI:10.1002/jps.2600590634

Reference yield:

2-Chloro-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester (27315-40-8) + cyclohexylmethylamine (3218-02-8) → 2-(Cyclohexylmethyl-amino)-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester

Guidance literature:

With triethylamine; In acetone;

DOI:10.1002/jps.2600590634

upstream raw materials:

3-hydroxy-2-hydroxymethyl-2-methylpropionic acid methyl ester

Downstream raw materials:

2-Hydroxy-5-methyl-2-oxo-2λ⁵-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester

2-Cyclohexylamino-5-methyl-2-oxo-2λ⁵-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester

2-(4-Methoxy-phenylamino)-5-methyl-2-oxo-2λ⁵-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester

5-Methyl-2-oxo-2-phenylamino-2λ⁵-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester