Carbonic acid, 4-nitrophenyl phenylmethyl ester

Base Information

• Chemical Name: Carbonic acid, 4-nitrophenyl phenylmethyl ester
• CAS No.: 13795-24-9
• Molecular Formula: C14H11 N O5
• Molecular Weight: 273.245
• Hs Code.: 2920909090
• NSC Number: 171047
• UNII: LYB2FT7YBK
• DSSTox Substance ID: DTXSID1065637
• Nikkaji Number: J236.299F
• Wikidata: Q81992297
• Mol file: 13795-24-9.mol

Synonyms:13795-24-9;Benzyl 4-nitrophenyl carbonate;benzyl (4-nitrophenyl) carbonate;Carbonic acid, 4-nitrophenyl phenylmethyl ester;Benzyl p-nitrophenyl carbonate;p-Nitrophenyl benzyl carbonate;4-Nitrophenyl benzyl carbonate;Carbonic acid, benzyl p-nitrophenyl ester;LYB2FT7YBK;NSC 171047;NSC-171047;Carbonic Acid Benzyl 4-Nitrophenyl Ester;UNII-LYB2FT7YBK;SCHEMBL1714950;DTXSID1065637;Benzyl (p-nitrophenyl) carbonate;QIXRWIVDBZJDGD-UHFFFAOYSA-;MFCD00007323;NSC171047;(4-Nitrophenyl)phenylmethyl carbonate;Benzyl 4-nitrophenyl carbonate, 99%;(4-nitrophenyl) phenylmethyl carbonate;AKOS015840330;AKOS015889530;1-(Benzyloxycarbonyloxy)-4-nitrobenzene;DS-16262;C1591;CS-0156216;FT-0636962;C93419;J-007083

Chemical Property of Carbonic acid, 4-nitrophenyl phenylmethyl ester

Chemical Property:

• Vapor Pressure: 6.98E-08mmHg at 25°C
• Melting Point: 78-80 °C(lit.)
• Boiling Point: 438.3°Cat760mmHg
• Flash Point: 196.4°C
• PSA: 81.35000
• Density: 1.326g/cm³
• LogP: 3.83360
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 273.06372245
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyl 4-Nitrophenyl Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• Uses: Benzyl 4-nitrophenyl carbonate may be used in chemical synthesis.

Technology Process of Carbonic acid, 4-nitrophenyl phenylmethyl ester

There total 4 articles about Carbonic acid, 4-nitrophenyl phenylmethyl 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: 95.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 4-nitrophenyl carbonate (13795-24-9)

Guidance literature:

With TEA; In dichloromethane; for 2h;

DOI:10.1021/jm9508806

Reference yield: 80.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + phenyl chloroformate (1885-14-9) → benzyl 4-nitrophenyl carbonate (13795-24-9)

Guidance literature:

Reference yield: 68.0%

→ benzyl 4-nitrophenyl carbonate (13795-24-9)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere; Darkness;

upstream raw materials:

4-nitro-phenol

benzyl chloroformate

4-Nitrophenyl chloroformate

benzyl alcohol

Downstream raw materials:

N-(2-Benzyloxycarbonylaminoethyl)glycine

2-amino-N-(benzyloxycarbonyl)benzylamine

N-(benzyloxycarbonyl)-L-tyrosine methyl ester

2,6-dimethyldiphenylmethane

Refernces

• 1、 Amoroso, R.,Di Stefano, A.,Lei, Hao,Mao, Shuai,Xin, Minghang,Yang, Xue-Yan,Yuan, Bo,Zhang, San-Qi,Zhao, Hong-Yi. "Synthesis and Biological Evaluation of 10-Substituted Camptothecin Derivatives with Improved Water Solubility and Activity". . p. 1000 - 1010. Retrieved 2020/12/25.
• 2、 Liew, Si Si,Zhang, Chengwu,Zhang, Jie,Sun, Hongyan,Li, Lin,Yao, Shao Q.. "Intracellular delivery of therapeutic proteins through N-Terminal site-specific modification". supporting information. p. 11473 - 11476. Retrieved 2020/10/13.