1,3-Dibenzyloxybenzene

Base Information

• Chemical Name: 1,3-Dibenzyloxybenzene
• CAS No.: 3769-42-4
• Molecular Formula: C20H18O2
• Molecular Weight: 290.362
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80362173
• Nikkaji Number: J895.228K
• Wikidata: Q72463654
• Mol file: 3769-42-4.mol

Synonyms:1,3-Dibenzyloxybenzene;3769-42-4;1,3-Bis(benzyloxy)benzene;1,3-bis(phenylmethoxy)benzene;Resorcinol Dibenzyl Ether;CBMicro_022707;Oprea1_212370;Oprea1_757347;ghl.PD_Mitscher_leg0.774;SCHEMBL1268719;RESHZVQZWMQUMB-UHFFFAOYSA-;DTXSID80362173;AMY28003;CCG-9550;MFCD00690156;AKOS000746330;AC-27874;BIM-0022587.P001;B2129;CS-0186292;FT-0600533;C13868;A823831

Chemical Property of 1,3-Dibenzyloxybenzene

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Melting Point: 71.0 to 76.0 °C
• Refractive Index: 1.6
• Boiling Point: 440.3 °C at 760 mmHg
• Flash Point: 172.6 °C
• PSA: 18.46000
• Density: 1.122 g/cm³
• LogP: 4.84460
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 290.130679813
• Heavy Atom Count: 22
• Complexity: 264

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Dibenzyloxybenzene ^*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(=CC=C2)OCC3=CC=CC=C3

Technology Process of 1,3-Dibenzyloxybenzene

There total 6 articles about 1,3-Dibenzyloxybenzene 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%

3,5-dibenzyloxybenzyl alcohol (24131-31-5) → 1,3-bis(benzyloxy)benzene (3769-42-4)

Guidance literature:

With chlorobis(cyclooctene)-iridium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; lithium chloride; In water; 1,3,5-trimethyl-benzene; at 170 ℃; for 20h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201202631

Reference yield: 83.2%

benzyl chloride (100-44-7) + recorcinol (108-46-3) → 1,3-bis(benzyloxy)benzene (3769-42-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1002/asia.200900679

Reference yield: 53.0%

benzyl alcohol (100-51-6,185532-71-2) + recorcinol (108-46-3) → 1,3-bis(benzyloxy)benzene (3769-42-4)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 19h; Ambient temperature;

DOI:10.1016/S0957-4166(97)00399-6

upstream raw materials:

benzyl bromide

recorcinol

benzyl chloride

benzyl alcohol

Downstream raw materials:

2,4-Bis-benzyloxy-1-iodo-benzene

C₂₂H₁₈O₂

Refernces

• 1、 Mazziotta, Andrea,Madsen, Robert. "Ruthenium-Catalyzed Dehydrogenative Decarbonylation of Primary Alcohols". . p. 5417 - 5420. Retrieved 2017/10/06.
• 2、 Herrmann, Josef M.,Untergehrer, Monika,Juergenliemk, Guido,Heilmann, Joerg,Koenig, Burkhard. "Synthesis of phenyl-1-benzoxepinols isolated from butcher's broom and analogous benzoxepines". supporting information. p. 3170 - 3181. Retrieved 2014/06/09.