4-Nitrophenyl (thiazol-5-ylmethyl) carbonate

Base Information

• Chemical Name: 4-Nitrophenyl (thiazol-5-ylmethyl) carbonate
• CAS No.: 144163-97-3
• Molecular Formula: C11H8N2O5S
• Molecular Weight: 280.261
• Hs Code.: 2934100090
• European Community (EC) Number: 680-587-3
• DSSTox Substance ID: DTXSID10432333
• Nikkaji Number: J3.400.971F
• Wikidata: Q72508345
• Mol file: 144163-97-3.mol

Synonyms:144163-97-3;((5-THIAZOLYL)METHYL)-(4-NITROPHENYL)CARBONATE;4-Nitrophenyl (thiazol-5-ylmethyl) carbonate;Thiazolylmethyl-4-nitrophenylcarbonate;(4-nitrophenyl) 1,3-thiazol-5-ylmethyl Carbonate;Carbonic acid 4-Nitrophenyl 5-thiazolylmethyl ester;(4-nitrophenyl) thiazol-5-ylmethyl carbonate;Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester;4-nitrophenyl thiazol-5-ylmethyl carbonate;4-Nitrophenyl (1,3-thiazol-5-yl)methyl carbonate;MFCD09750981;EC 680-587-3;C11H8N2O5S;(4-Nitrophenyl) thiazol-5-ylmethyl carbonate;Carbonic Acid,4-Nitrophenyl-5-thiazolyl methyl ester(NCT);4-Nitrophenyl (5-Thiazolylmethyl) Carbonate;SCHEMBL272963;DTXSID10432333;FTEKBGGQRNJIPQ-UHFFFAOYSA-N;BCP28373;AKOS015889239;AC-1728;AM84400;AS-16046;SY102959;4-Nitrophenyl(thiazol-5-ylmethyl)carbonate;5-(p-Nitrophenoxycarbonyloxymethyl)thiazole;5-(p-Nitrophenyoxycarbonyloxymethyl)thiazole;5-(p-Nitrophenoxycarbonyloxy methyl)thiazole;5-(p-nitrophenyloxycarbonyloxymethyl)thiazole;CS-0157448;FT-0650147;5-(p-nitrophenyloxycarbonyloxy-methyl)thiazole;4-nitrophenyl 1,3-thiazol-5-ylmethyl carbonate;A808184;Carbonic acid 4-nitrophenyl=5-thiazolylmethyl ester;J-007925;J-515881;Carbonic acid 4-nitrophenyl ester thiazol-5-ylmethyl ester

Chemical Property of 4-Nitrophenyl (thiazol-5-ylmethyl) carbonate

Chemical Property:

• Appearance/Colour: pale-yellow solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 126-127oC
• Refractive Index: 1.627
• Boiling Point: 475.333 °C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 241.273 °C
• PSA: 122.48000
• Density: 1.485 g/cm³
• LogP: 3.29010
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 280.01539253
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

Thiazolylmethyl-4-nitrophenylcarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCC2=CN=CS2
• Uses: Retinovir intermediate Retinovir intermediate.

Technology Process of 4-Nitrophenyl (thiazol-5-ylmethyl) carbonate

There total 5 articles about 4-Nitrophenyl (thiazol-5-ylmethyl) carbonate 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: 95.0%

thiazol-5-yl-methanol (38585-74-9) + 4-Nitrophenyl chloroformate (7693-46-1) → ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate (144163-97-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2018.06.027

Reference yield:

thiazol-5-yl-methanol (38585-74-9) + bis-(p-nitrophenyl) carbonate (5070-13-3) → ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate (144163-97-3)

Guidance literature:

With triethylamine; In dichloromethane; for 12h;

Reference yield:

4-methyl-morpholine (109-02-4) + thiazol-5-yl-methanol (38585-74-9) + 4-Nitrophenyl chloroformate (7693-46-1) → ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate (144163-97-3)

Guidance literature:

In methanol; dichloromethane; chloroform;

upstream raw materials:

thiazol-5-yl-methanol

4-Nitrophenyl chloroformate

bis-(p-nitrophenyl) carbonate

4-methyl-morpholine

Downstream raw materials:

C₂₃H₂₇N₃O₂S

C₁₉H₂₇N₃O₂S

C₁₉H₂₇N₃O₂S

C₂₃H₂₇N₃O₂S

Refernces

• 1、 -. "NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5- CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE". Paragraph 0163. . Retrieved 2018/02/28.
• 2、 -. "METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS". Page/Page column 19. . Retrieved 2010/10/19.