2-Isopropoxyethyl carbamate

Base Information

• Chemical Name: 2-Isopropoxyethyl carbamate
• CAS No.: 67952-46-9
• Molecular Formula: C6H13NO3
• Molecular Weight: 147.174
• European Community (EC) Number: 267-900-5
• DSSTox Substance ID: DTXSID40887054
• Nikkaji Number: J67.619E
• Wikidata: Q82866074
• Mol file: 67952-46-9.mol

Synonyms:2-Isopropoxyethyl carbamate;Isopropoxyethyl carbamate;67952-46-9;2-(1-Methylethoxy)ethyl carbamate;(2-Isopropoxyethyl)carbamate;EINECS 267-900-5;BRN 1757003;Ethanol, 2-(1-methylethoxy)-, carbamate;Ethanol, 2-(1-methylethoxy)-, 1-carbamate;CARBAMIC ACID, (2-ISOPROPOXYETHYL) ESTER;2-Isopropoxyethyl=carbamate;SCHEMBL11805700;DTXSID40887054;AKOS006337184;LS-49997

Chemical Property of 2-Isopropoxyethyl carbamate

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 57-59 °C
• Refractive Index: 1.4240 (estimate)
• Boiling Point: 250.6°Cat760mmHg
• PKA: 13.31±0.50(Predicted)
• Flash Point: 117.5°C
• PSA: 62.54000
• Density: 1.04g/cm³
• LogP: 1.02050
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.08954328
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OCCOC(=O)N

Technology Process of 2-Isopropoxyethyl carbamate

There total 2 articles about 2-Isopropoxyethyl carbamate 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: 81.0%

2-(1-methylethoxy)-ethanol (109-59-1) + sodium isocyanate (917-61-3) → ethylene glycol monoisopropyl ether carbamate (67952-46-9)

Guidance literature:

With perchloric acid on silica gel; at 20 ℃; for 0.75h;

DOI:10.1016/j.tet.2007.06.048

Reference yield:

→ ethylene glycol monoisopropyl ether carbamate (67952-46-9)

Guidance literature:

/BRN= 1749352/;

DOI:10.1021/ja01279a029

upstream raw materials:

2-(1-methylethoxy)-ethanol

sodium isocyanate

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