2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate

Base Information

• Chemical Name: 2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate
• CAS No.: 22131-27-7
• Molecular Formula: C₁₂H₂₄N₂O₄
• Molecular Weight: 260.334
• Nikkaji Number: J90.893B
• Mol file: 22131-27-7.mol

Synonyms:BRN 2370821;22131-27-7;2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate;1,3-Propanediol, 2,2-diethyl-, carbamate isopropylcarbamate

Chemical Property of 2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate

Chemical Property:

• Vapor Pressure: 2.24E-07mmHg at 25°C
• Boiling Point: 423.4°C at 760 mmHg
• Flash Point: 209.9°C
• PSA: 90.65000
• Density: 1.056g/cm³
• LogP: 3.11390
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 260.17360725
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(COC(=O)N)COC(=O)NC(C)C

Technology Process of 2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate

There total 2 articles about 2,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate 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:

5,5-diethyl-1,3-dioxan-2-one (13423-63-7) → N-Isopropyl-2.2-diethyl-propandiol-(1.3)-dicarbamat (22131-27-7)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) PhNMe₂, (ii) NH₃

DOI:10.1007/BF00900274

Reference yield:

phosgene (75-44-5) + N-Isopropyl-2.2-diethyl-propandiol-(1.3)-monocarbamat (91249-89-7) → N-Isopropyl-2.2-diethyl-propandiol-(1.3)-dicarbamat (22131-27-7)

Guidance literature:

Multistep reaction; (i) PhNMe₂, (ii) NH₃;

DOI:10.1007/BF00900274

upstream raw materials:

phosgene

N-Isopropyl-2.2-diethyl-propandiol-(1.3)-monocarbamat

5,5-diethyl-1,3-dioxan-2-one