Cas no 1285516-72-4 (Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate)
![Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate structure](https://ossimg.kuujia.com/scimg/1286000/1285516-72-4x500.png)
1285516-72-4 structure
Product Name:Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate
CAS No:1285516-72-4
MF:C19H21NO6S
MW:391.438144445419
CID:2116448
Update Time:2023-08-04
Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(benzyloxy)-5-(morpholinosulfonyl)benzoate
- SOLIFHUPLZAUPP-UHFFFAOYSA-N
- Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate
- methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl) oxy]benzoate
- Benzoic acid, 5-(4-morpholinylsulfonyl)-2-(phenylmethoxy)-, methyl ester
-
- Inchi： 1S/C19H21NO6S/c1-24-19(21)17-13-16(27(22,23)20-9-11-25-12-10-20)7-8-18(17)26-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
- InChI Key： SOLIFHUPLZAUPP-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C(=O)OC)C=1)OCC1C=CC=CC=1)(N1CCOCC1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 578
- Topological Polar Surface Area: 90.5
Methyl 5-(4-morpholinylsulfonyl)-2-[(phenylmethyl)oxy]benzoate Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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