Benzyl phenyl carbonate

Base Information

• Chemical Name: Benzyl phenyl carbonate
• CAS No.: 28170-07-2
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• Hs Code.: 29209090
• European Community (EC) Number: 608-171-9
• DSSTox Substance ID: DTXSID20457991
• Nikkaji Number: J1.822.066K
• Wikidata: Q82281106
• Mol file: 28170-07-2.mol

Synonyms:Benzyl phenyl carbonate;28170-07-2;Phenyl benzyl carbonate;Carbonic acid, phenyl phenylmethyl ester;Carbonic Acid Benzyl Phenyl Ester;benzyl phenylcarbonate;benzylphenyl carbonate;BENZYLPHENYLCARBONATE;SCHEMBL697595;Benzyl phenyl carbonate, 97%;Carbonic acid benzylphenyl ester;SNGLYCMNDNOLOF-UHFFFAOYSA-;DTXSID20457991;SNGLYCMNDNOLOF-UHFFFAOYSA-N;CS-D1231;MFCD07784341;AKOS015840331;AM10001;AS-10178;B3574;C93458;EN300-7128741;A876770;J-016997;InChI=1/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Chemical Property of Benzyl phenyl carbonate

Chemical Property:

• Vapor Pressure: 3.56E-05mmHg at 25°C
• Refractive Index: n20/D 1.5490(lit.)
• Boiling Point: 353.5oC at 760 mmHg
• Flash Point: 138.8oC
• PSA: 35.53000
• Density: 1.175g/cm3
• LogP: 3.40220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 228

Purity/Quality:

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

Benzyl Phenyl Carbonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2
• Uses: Benzyl phenyl carbonate can be used to synthesize carbamate protected polyamines.

Technology Process of Benzyl phenyl carbonate

There total 7 articles about Benzyl phenyl 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: 100.0%

phenyl chloroformate (1885-14-9) + benzyl alcohol (100-51-6,185532-71-2) → benzyl phenyl carbonate (28170-07-2)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c3ob42325e

Reference yield: 99.0%

phenyl chloroformate (1885-14-9) → benzyl phenyl carbonate (28170-07-2)

Guidance literature:

With sulfuric acid; benzyl alcohol; In dichloromethane; water;

Reference yield: 78.0%

carbon dioxide (124-38-9,18923-20-1) + benzyl bromide (100-39-0) + phenol (108-95-2,27073-41-2) → benzyl phenyl carbonate (28170-07-2)

Guidance literature:

With ethyl(8-diisopropylamino-3,6-dioxaoctyl)dimethylammonium bis{(trifluoromethyl)sulfonyl}azanide; at 25 ℃; for 72h; under 7500.75 Torr; Autoclave; Green chemistry;

DOI:10.1071/CH17530

upstream raw materials:

phenyl chloroformate

benzyl alcohol

phenol

benzyl chloroformate

Downstream raw materials:

N-benzyloxycarbonyl-1,6-hexanediamine

(5-aminopentyl)carbamic acid benzyl ester

<3-<<4-(carboxyamino)butyl>amino>propyl>carbamic acid, dibenzyl ester

1-(benzyloxycarbonyl) amino-2-aminopropane

Refernces

• 1、 -. "Folic acid targeting porphin photosensitizer coupled by different connecting chains and synthesis and application of folic acid targeting porphin photosensitizer". Paragraph 0131-0133. . Retrieved 2020/12/15.
• 2、 Xu, Jian-Xing,Wu, Xiao-Feng. "Palladium-Catalyzed Decarboxylative Carbonylative Transformation of Benzyl Aryl Carbonates: Direct Synthesis of Aryl 2-Arylacetates". supporting information. p. 5938 - 5941. Retrieved 2018/09/21.