Thymyl n-isoamylcarbamate

Base Information

• Chemical Name: Thymyl n-isoamylcarbamate
• CAS No.: 578-20-1
• Molecular Formula: C₁₆H₂₅NO₂
• Molecular Weight: 263.38
• UNII: 9X61JQX8UL
• DSSTox Substance ID: DTXSID00870624
• Nikkaji Number: J166.106J
• Wikidata: Q27273341
• Mol file: 578-20-1.mol

Synonyms:Egressin;thymyl n-isoamylcarbamate;Thymol N-isoamylcarbamate;Thymyl N-isoamylcarbamate [MI];Isoamylcarbamic acid thymyl ester;UNII-9X61JQX8UL;578-20-1;9X61JQX8UL;Carbamic acid, (3-methylbutyl)-, 5-methyl-2-(1-methylethyl)phenyl ester;SCHEMBL1651578;DTXSID00870624;isopropyl-m-cresyl ester of isoamylcarbamic acid;Q27273341;(5-methyl-2-propan-2-ylphenyl) N-(3-methylbutyl)carbamate

Chemical Property of Thymyl n-isoamylcarbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 57°
• Boiling Point: 348.327°C at 760 mmHg
• PKA: 12.31±0.46(Predicted)
• Flash Point: 164.462°C
• PSA: 38.33000
• Density: 0.98g/cm³
• LogP: 4.64380
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 263.188529040
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

THYMYL-N-ISOAMYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)OC(=O)NCCC(C)C

Technology Process of Thymyl n-isoamylcarbamate

There total 1 articles about Thymyl n-isoamylcarbamate 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:

chlorocarbonic acid-(2-isopropyl-5-methyl-phenyl ester) (104304-27-0) + isoamylamine hydrochloride (541-23-1) → Egressin (578-20-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

chlorocarbonic acid-(2-isopropyl-5-methyl-phenyl ester)

isoamylamine hydrochloride