Benzyl p-(benzyloxy)benzoate

Base Information

• Chemical Name: Benzyl p-(benzyloxy)benzoate
• CAS No.: 56442-22-9
• Molecular Formula: C21H18 O3
• Molecular Weight: 318.372
• Hs Code.: 2918990090
• European Community (EC) Number: 260-185-0
• NSC Number: 141837
• UNII: 4YU76GHP4Z
• DSSTox Substance ID: DTXSID30204998
• Nikkaji Number: J40.635J
• Wikidata: Q83078489
• ChEMBL ID: CHEMBL3278102
• Mol file: 56442-22-9.mol

Synonyms:56442-22-9;Benzyl p-(benzyloxy)benzoate;BENZYL 4-BENZYLOXYBENZOATE;benzyl 4-phenylmethoxybenzoate;benzyl 4-(benzyloxy)benzoate;4YU76GHP4Z;4-benzyloxybenzoic acid benzyl ester;EINECS 260-185-0;phenylmethyl 4-(phenylmethoxy)benzoate;NSC-141837;Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester;benzyl p-benzyloxybenzoate;UNII-4YU76GHP4Z;SCHEMBL50807;p-Benzyloxybenzoesaurebenzylester;CHEMBL3278102;DTXSID30204998;MFCD00075771;NSC141837;4-(Benzyloxy)benzoic acid benzyl ester;NSC 141837;FT-0622833

Chemical Property of Benzyl p-(benzyloxy)benzoate

Chemical Property:

• Vapor Pressure: 2.86E-09mmHg at 25°C
• Melting Point: 117-119°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 477.2°Cat760mmHg
• Flash Point: 205.6°C
• PSA: 35.53000
• Density: 1.167g/cm³
• LogP: 4.62260
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 318.125594432
• Heavy Atom Count: 24
• Complexity: 361

Purity/Quality:

98%99% ^*data from raw suppliers

4-BenzyloxybenzoicAcidBenzylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Technology Process of Benzyl p-(benzyloxy)benzoate

There total 7 articles about Benzyl p-(benzyloxy)benzoate 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: 92.0%

benzyl bromide (100-39-0) + 4-hydroxy-benzoic acid (99-96-7) → benzyl 4-benzyloxybenzoate (56442-22-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1080/00397910500406534

Reference yield: 76.0%

N,N'-dimethylbenzylamine (103-83-3) + benzyl chloride (100-44-7) + 4-hydroxy-benzoic acid (99-96-7) → benzyl 4-benzyloxybenzoate (56442-22-9)

Guidance literature:

With sodium iodide; potassium carbonate; In acetonitrile;

Reference yield: 75.0%

benzyl chloride (100-44-7) + 4-hydroxy-benzoic acid (99-96-7) → benzyl 4-benzyloxybenzoate (56442-22-9)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; Heating;

upstream raw materials:

benzyl chloride

4-hydroxy-benzoic acid

benzyl bromide

N,N'-dimethylbenzylamine

Downstream raw materials:

p-(benzyloxy)benzoic acid

4-hydroxy-benzoic acid

N-allyl-4-(benzyloxy)benzamide

4-benzyloxybenzoic acid 3-hydroxy-2,2-dimethylchroman-7-yl ester

Refernces

• 1、 Xie, Yundong,Liu, Jiping,Shi, Yongheng,Bin Wang,Wang, Xiaoping,Wang, Wei,Sun, Meng,Xu, Xinya,He, Shipeng. "Synthesis and evaluation of new sesamol-based phenolic acid derivatives with hypolipidemic, antioxidant, and hepatoprotective effects". . p. 1688 - 1702. Retrieved 2021/07/26.
• 2、 Kühl, Nikos,Graf, Dominik,Bock, Josephine,Behnam, Mira A. M.,Leuthold, Mila-Mareen,Klein, Christian D.. "A New Class of Dengue and West Nile Virus Protease Inhibitors with Submicromolar Activity in Reporter Gene DENV-2 Protease and Viral Replication Assays". supporting information. p. 8179 - 8197. Retrieved 2020/09/21.