Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester

Base Information

• Chemical Name: Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester
• CAS No.: 232951-82-5
• Molecular Formula: C16H11NO3
• Molecular Weight: 265.268
• Hs Code.: 2929109000
• European Community (EC) Number: 630-746-8
• DSSTox Substance ID: DTXSID70459521
• Mol file: 232951-82-5.mol

Synonyms:232951-82-5;Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester;Carbonisocyanatidic acid 9H-fluoren-9-ylmethyl ester;9H-fluoren-9-ylmethyl N-(oxomethylidene)carbamate;N-Fmoc-isocyanate, 95%;SCHEMBL2744229;DTXSID70459521

Chemical Property of Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester

Chemical Property:

• Melting Point: 52-56°C
• Flash Point: >110℃
• PSA: 55.73000
• LogP: 3.27130
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 265.07389321
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

N-Fmoc-isocyanate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N=C=O

Technology Process of Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester

There total 1 articles about Carbonisocyanatidic acid, 9H-fluoren-9-ylmethyl ester 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: 78.0%

oxalyl dichloride (79-37-8) + 9-fluorenylmethyl carbamate (84418-43-9) → 9-fluorenylmethoxycarbonyl isocyanate (232951-82-5)

Guidance literature:

In dichloromethane; at 0 - 55 ℃;

DOI:10.1021/ja994504c

Reference yield: 80.0%

10-methoxy-5H-dibenzo[b,f]azepine (4698-11-7) + 9-fluorenylmethoxycarbonyl isocyanate (232951-82-5) → 10-methoxy-5H-dibenz[b,f]azepine-5-carboxamide (28721-09-7)

Guidance literature:

10-methoxy-5H-dibenzo[b,f]azepine; 9-fluorenylmethoxycarbonyl isocyanate; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

With piperidine; In dichloromethane; Inert atmosphere;

DOI:10.1055/s-0035-1560201

Reference yield: 69.0%

C25H30N4O5 (1209003-45-1) + 9-fluorenylmethoxycarbonyl isocyanate (232951-82-5) → C41H41N5O7S

Guidance literature:

In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

upstream raw materials:

oxalyl dichloride

9-fluorenylmethyl carbamate

Downstream raw materials:

C₄₉H₃₉N₃O₆

C₄₆H₄₃N₃O₆Si

10-methoxy-5H-dibenz[b,f]azepine-5-carboxamide

Refernces

• 1、 Vedejs,Klapars,Naidu,Piotrowski,Tucci. "Enantiocontrolled synthesis of (1S,2S)-6-desmethyl- (methylaziridino)mitosene [8]". . p. 5401 - 5402. Retrieved 2007/10/03.