13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one

Base Information

Chemical Name:13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one
CAS No.:85037-91-8
Molecular Formula:C21H32O4S
Molecular Weight:380.549
Hs Code.:
DSSTox Substance ID:DTXSID40607416

Synonyms:85037-91-8;SCHEMBL11064709;DTXSID40607416;MZTGFTPUEJWYBU-UHFFFAOYSA-N;13-[3-(BENZENESULFONYL)PROPYL]-1-OXACYCLOTRIDECAN-2-ONE;15-Phenylsulfonyl-12-pentadecanolide

Suppliers and Price of 13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:380.20213067
Heavy Atom Count:26
Complexity:489

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCCCC(=O)OC(CCCC1)CCCS(=O)(=O)C2=CC=CC=C2

Technology Process of 13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one

There total 4 articles about 13-[3-(Benzenesulfonyl)propyl]-1-oxacyclotridecan-2-one 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:

BF_3.Et₂ O: BF_3.Et₂ O

: 71-55-6,74552-83-3
1,1,1-trichloroethane

: 34241-39-9
azobisisobutyronitrile

: 32539-89-2
(+/-)-2-allylcyclododecanone

: 85037-91-8
15-phenylsulfonyl-12-pentadecanolide

Guidance literature:: With peracetic acid; sodium hydroxide; sodium hydrogen sulfate; In petrol ether; water; ethyl acetate; thiophenol;

Reference yield:

: 89328-35-8
2-<3-(phenylsulfonyl)propyl>cyclododecanone

: 85037-91-8
15-phenylsulfonyl-12-pentadecanolide

Guidance literature:: With peracetic acid; boron trifluoride diethyl etherate; In 1,1,1-trichloroethane; Yield given; 1) 30-40 deg, C, 2) 50 deg C, 10 d;
DOI:10.1002/hlca.19830660816

Reference yield:

: 108-98-5
thiophenol

: 85037-91-8
15-phenylsulfonyl-12-pentadecanolide

Guidance literature:: Multi-step reaction with 3 steps

1: AIBN / 10 h / 80 °C

2: 40percent CH₃CO₃H / 1,1,1-trichloro-ethane / 30 °C

3: 1) 40percent CH₃CO₃H, 2) BF₃*Et₂O / 1,1,1-trichloro-ethane / 1) 30-40 deg, C, 2) 50 deg C, 10 d

With peracetic acid; 2,2'-azobis(isobutyronitrile); boron trifluoride diethyl etherate; In 1,1,1-trichloroethane;
DOI:10.1002/hlca.19830660816