phenyl N-(1,3-thiazol-2-yl)carbamate

Base Information

• Chemical Name: phenyl N-(1,3-thiazol-2-yl)carbamate
• CAS No.: 39142-40-0
• Molecular Formula: C10H8 N2 O2 S
• Molecular Weight: 220.252
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70349519
• Wikidata: Q82124832
• ChEMBL ID: CHEMBL1443402
• Mol file: 39142-40-0.mol

Synonyms:39142-40-0;phenyl N-(1,3-thiazol-2-yl)carbamate;phenyl 1,3-thiazol-2-ylcarbamate;Thiazol-2-ylcarbamic acid phenyl ester;Thiazol-2-yl-carbamic acid phenyl ester;PHENYL1,3-THIAZOL-2-YLCARBAMATE;MLS000077375;ChemDiv2_000679;phenyl thiazol-2-ylcarbamate;phenyl(thiazol-2-yl)carbamate;SCHEMBL145495;phenyl (thiazol-2-yl)carbamate;CHEMBL1443402;phenyl N-(2-thiazolyl)carbamate;DTXSID70349519;CXVVRXLSXHPYDR-UHFFFAOYSA-N;phenyl N-(2-thiazolyl)-carbamate;HMS1370O19;HMS2413O14;STL478629;AKOS000536916;CCG-106050;(thiazol-2-yl)carbamic acid phenyl ester;SMR000010204;CS-0243616;FT-0750056;EN300-26631;AI-204/31678024;A1-25951;Z28173938;F0921-0601

Chemical Property of phenyl N-(1,3-thiazol-2-yl)carbamate

Chemical Property:

• Melting Point: 179-180 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.668
• PKA: 3.75±0.70(Predicted)
• PSA: 82.95000
• Density: 1.401g/cm³
• LogP: 2.76760
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.03064868
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%Min ^*data from raw suppliers

phenylN-(1,3-thiazol-2-yl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)NC2=NC=CS2

Technology Process of phenyl N-(1,3-thiazol-2-yl)carbamate

There total 5 articles about phenyl N-(1,3-thiazol-2-yl)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: 93.0%

2-thiazolylamine (96-50-4) + phenyl chloroformate (1885-14-9) → phenyl N-(2-thiazolyl)-carbamate (39142-40-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1080/00397911.2010.517372

Reference yield: 72.0%

2-thiazolylamine (96-50-4) + phenyl carbonic acid (13932-55-3) → phenyl N-(2-thiazolyl)-carbamate (39142-40-0)

Guidance literature:

phenyl carbonic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 0.25h;

2-thiazolylamine; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 50 ℃; for 24h;

DOI:10.1016/j.molstruc.2021.130526

Reference yield:

2-thiazolylamine (96-50-4) + bis(phenyl) carbonate (102-09-0) → phenyl N-(2-thiazolyl)-carbamate (39142-40-0)

Guidance literature:

2-thiazolylamine; With sodium hydride; In N,N-dimethyl-formamide; cooling;

bis(phenyl) carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm049530m

upstream raw materials:

2-thiazolylamine

phenoxycarbonyl isothiocyanate

bis(phenyl) carbonate

phenyl chloroformate

Downstream raw materials:

2-thiazolylamine

phenol

N-[4-(2-Cyclobutanecarbonylaminopyridin-4-yl)oxyphenyl]-N'-(2-thiazolyl)urea

1-[4-(6-(Pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-phenyl]-3-(thiazol-2-yl)urea