C52WZ2Q5T4

Base Information

Chemical Name:C52WZ2Q5T4
CAS No.:483987-38-8
Molecular Formula:C₃₁H₂₇NO₅
Molecular Weight:493.559
Hs Code.:
UNII:C52WZ2Q5T4

Synonyms:(4-(1-(1H-indol-3-yl)-3,4-dioxo-3,4-dihydro-naphthalen-2-ylmethyl)phenoxy)acetic acid tert-butyl ester;KR61639

Suppliers and Price of C52WZ2Q5T4

Supply Marketing:

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

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Chemical Property of C52WZ2Q5T4

Chemical Property:

XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:493.18892296
Heavy Atom Count:37
Complexity:909

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)COC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)C4=CNC5=CC=CC=C54

Technology Process of C52WZ2Q5T4

There total 12 articles about C52WZ2Q5T4 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:

: 5292-43-3
bromoacetic acid tert-butyl ester

: 483987-38-8
{4-[1-(1H-indol-3-yl)-3,4-dioxo-3,4-dihydro-naphthalen-2-ylmethyl]-phenoxy}-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: K₂CO₃; KI / acetone / Heating

2: H₂ / 10 percent Pd/C / ethanol / 20 °C

3: (PhSeO)2O / tetrahydrofuran / 50 °C

4: CeCl₃*7H₂O; NaIO₃ / 2-methyl-propan-2-ol / 40 °C

With cerium(III) chloride; sodium iodate; (PhSeO)2O; hydrogen; potassium carbonate; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; ethanol; acetone; tert-butyl alcohol;
DOI:10.1016/S0960-894X(02)00331-1

Reference yield:

: 67963-68-2
t-butyldimethylsilyl-4-bromophenol

: 483987-38-8
{4-[1-(1H-indol-3-yl)-3,4-dioxo-3,4-dihydro-naphthalen-2-ylmethyl]-phenoxy}-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 7 steps

1.1: n-BuLi / tetrahydrofuran / 0 °C

1.2: tetrahydrofuran / -20 - 0 °C

2.1: Et₃SiH; TFA / CH₂Cl₂ / 0 °C

3.1: TBAF / tetrahydrofuran / 0 °C

4.1: K₂CO₃; KI / acetone / Heating

5.1: H₂ / 10 percent Pd/C / ethanol / 20 °C

6.1: (PhSeO)2O / tetrahydrofuran / 50 °C

7.1: CeCl₃*7H₂O; NaIO₃ / 2-methyl-propan-2-ol / 40 °C

With triethylsilane; n-butyllithium; cerium(III) chloride; sodium iodate; (PhSeO)2O; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; acetone; tert-butyl alcohol;
DOI:10.1016/S0960-894X(02)00331-1

Reference yield:

: 128019-31-8
3-benzyloxy-[2]naphthoic acid

: 483987-38-8
{4-[1-(1H-indol-3-yl)-3,4-dioxo-3,4-dihydro-naphthalen-2-ylmethyl]-phenoxy}-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 9 steps

1.1: LiAlH₄ / tetrahydrofuran / 0 °C

2.1: MnO₂ / dioxane / 20 °C

3.1: n-BuLi / tetrahydrofuran / 0 °C

3.2: tetrahydrofuran / -20 - 0 °C

4.1: Et₃SiH; TFA / CH₂Cl₂ / 0 °C

5.1: TBAF / tetrahydrofuran / 0 °C

6.1: K₂CO₃; KI / acetone / Heating

7.1: H₂ / 10 percent Pd/C / ethanol / 20 °C

8.1: (PhSeO)2O / tetrahydrofuran / 50 °C

9.1: CeCl₃*7H₂O; NaIO₃ / 2-methyl-propan-2-ol / 40 °C

With triethylsilane; manganese(IV) oxide; lithium aluminium tetrahydride; n-butyllithium; cerium(III) chloride; sodium iodate; (PhSeO)2O; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; acetone; tert-butyl alcohol;
DOI:10.1016/S0960-894X(02)00331-1