tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate

Base Information

Chemical Name:tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate
CAS No.:250583-02-9
Molecular Formula:C₂₁H₂₃ClO₇S
Molecular Weight:454.928
Hs Code.:
DSSTox Substance ID:DTXSID601118159
Nikkaji Number:J1.178.307D

Synonyms:DTXSID601118159;250583-02-9;1,1-Dimethylethyl (betaS)-beta-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3-benzodioxole-5-propanoate

Suppliers and Price of tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:454.0853019
Heavy Atom Count:30
Complexity:676

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC(COS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3
Isomeric SMILES:CC(C)(C)OC(=O)C[C@H](COS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3

Technology Process of tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate

There total 7 articles about tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)sulfonyloxybutanoate 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: 95.0%

: 98-60-2
4-chlorobenzenesulfonyl chloride

: 250583-01-8
3-benzo[1,3]dioxol-5-yl-4-hydroxy-butyric acid tert-butyl ester

: 250583-02-9
3-benzo[1,3]dioxol-5-yl-4-(4-chloro-benzenesulfonyloxy)-butyric acid tert-butyl ester

Guidance literature:: With dmap; triethylamine; In dichloromethane;
DOI:10.1016/S0040-4039(99)01497-5

Reference yield:

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 250583-02-9
3-benzo[1,3]dioxol-5-yl-4-(4-chloro-benzenesulfonyloxy)-butyric acid tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: Et₃N / diethyl ether / -78 - 0 °C

2: 70 percent / BuLi / tetrahydrofuran / -78 °C

3: 76 percent / NaHMDS / tetrahydrofuran / -78 - 50 °C

4: 92 percent / LiOOH; water / tetrahydrofuran / 0 - 20 °C

5: 99 percent / BH₃*THF / 0 - 20 °C

6: 95 percent / Et₃N; DMAP / CH₂Cl₂

With dmap; n-butyllithium; borane-THF; lithium hydroperoxide; water; sodium hexamethyldisilazane; triethylamine; In tetrahydrofuran; diethyl ether; dichloromethane; 1: Acylation / 2: Acylation / 3: Alkylation / 4: Hydrolysis / 5: Reduction / 6: Condensation;
DOI:10.1016/S0040-4039(99)01497-5

Reference yield:

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

: 250583-02-9
3-benzo[1,3]dioxol-5-yl-4-(4-chloro-benzenesulfonyloxy)-butyric acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 76 percent / NaHMDS / tetrahydrofuran / -78 - 50 °C

2: 92 percent / LiOOH; water / tetrahydrofuran / 0 - 20 °C

3: 99 percent / BH₃*THF / 0 - 20 °C

4: 95 percent / Et₃N; DMAP / CH₂Cl₂

With dmap; borane-THF; lithium hydroperoxide; water; sodium hexamethyldisilazane; triethylamine; In tetrahydrofuran; dichloromethane; 1: Alkylation / 2: Hydrolysis / 3: Reduction / 4: Condensation;
DOI:10.1016/S0040-4039(99)01497-5