Methyl 2-(cyclohexylamino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

Base Information

• Chemical Name: Methyl 2-(cyclohexylamino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide
• CAS No.: 27247-45-6
• Molecular Formula: C₁₂H₂₂NO₅P
• Molecular Weight: 291.284
• NSC Number: 114643
• DSSTox Substance ID: DTXSID30297183
• Mol file: 27247-45-6.mol

Synonyms:27247-45-6;methyl 2-(cyclohexylamino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide;NSC114643;DTXSID30297183;NSC-114643

Chemical Property of Methyl 2-(cyclohexylamino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

Chemical Property:

• Vapor Pressure: 3.25E-05mmHg at 25°C
• Boiling Point: 354.9°Cat760mmHg
• Flash Point: 168.4°C
• Density: 1.21g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 291.12355980
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COP(=O)(OC1)NC2CCCCC2)C(=O)OC

Technology Process of Methyl 2-(cyclohexylamino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide

There total 2 articles about Methyl 2-(cyclohexylamino)-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-Cyclohexylamino-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinane-5-carboxylic acid methyl ester (27247-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: Et₃N / acetone

With triethylamine; trichlorophosphate; 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) + 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

upstream raw materials:

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

cyclohexylamine

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