2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester

Base Information

Chemical Name:2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester
CAS No.:158980-59-7
Molecular Formula:C40H37BrO7
Molecular Weight:709.634
Hs Code.:
DSSTox Substance ID:DTXSID301107494
Nikkaji Number:J613.924H
Mol file:158980-59-7.mol

Synonyms:DTXSID301107494;2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester;1-[[2-Bromo-3-(phenylmethoxy)phenyl]methyl] 4-(1,1-dimethylethyl) 2,6-bis(phenylmethoxy)-1,4-benzenedicarboxylate;158980-59-7

Suppliers and Price of 2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester

Chemical Property:

XLogP3:9.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:16
Exact Mass:708.17227
Heavy Atom Count:48
Complexity:933

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)OCC3=C(C(=CC=C3)OCC4=CC=CC=C4)Br)OCC5=CC=CC=C5

Technology Process of 2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl ester

There total 7 articles about 2,6-Bis(benzyloxy)terephthalic acid 1-[2-bromo-3-(benzyloxy)benzyl]4-tert-butyl 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: 81.0%

: 158585-00-3
2-bromo-3-benzyloxy-benzyl alcohol

: 158980-58-6
3,5-Bis-benzyloxy-4-chlorocarbonyl-benzoic acid tert-butyl ester

: 158980-59-7
1,1-dimethylethyl 2-bromo-3-(benzyloxy)benzyl 2,5-bis(benzyloxy)-1,4-dibenzoate

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran;
DOI:10.1021/jo00097a014

Reference yield:

: 16534-12-6
3,5-dihydroxy-4-bromobenzoic acid

: 158980-59-7
1,1-dimethylethyl 2-bromo-3-(benzyloxy)benzyl 2,5-bis(benzyloxy)-1,4-dibenzoate

Guidance literature:: Multi-step reaction with 6 steps

1: 75 percent / K₂CO₃ / dimethylformamide / 20 h / Ambient temperature

2: 95 percent / NaOH / H₂O / 12 h / 100 °C

3: 99 percent / CDI, DBU / dimethylformamide / 60 h / 40 °C

4: 48 percent / BuLi / tetrahydrofuran; hexane / 1.) -70 deg C, 10 min, 2.) -78 deg C, 20 min; warm to room temperature, 45 min

5: DMF, (COCl)2 / CH₂Cl₂ / 3 h / Ambient temperature

6: 81 percent / t-BuOK / tetrahydrofuran / 0.75 h / 0 °C

With sodium hydroxide; n-butyllithium; oxalyl dichloride; potassium tert-butylate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N,N-dimethyl-formamide; 1,1'-carbonyldiimidazole; In tetrahydrofuran; hexane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo952280k

Reference yield:

: 1700-30-7
(3-(benzyloxy)phenyl)methanol

: 158980-59-7
1,1-dimethylethyl 2-bromo-3-(benzyloxy)benzyl 2,5-bis(benzyloxy)-1,4-dibenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 51 percent / BuLi, BrCF₂CF₂Br / toluene; hexane / 1.) -5 deg C, 6 h, 2.) -78 deg C to room temperature, 16 h

2: 81 percent / t-BuOK / tetrahydrofuran / 0.75 h / 0 °C

With n-butyllithium; 1,2-dibromo-1,1,2,2-tetrafluoroethane; potassium tert-butylate; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/jo952280k