Basic information
- Standard SMILES
CC1(C)c2cccc(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)c2Oc2c(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cccc21- InChIKey
DXZANFKSPAISOB-UHFFFAOYSA-N- Molecular formula
- C55H36O5P2
- Average molar mass
- 838.8 g/mol
Names & identifiers
- Preferred name
- (11bR,11'bR)-4,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin]
- IUPAC
- 13-[5-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-9,9-dimethylxanthen-4-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
- English name
- (11bR, 11'bR)-4,4'-(9,9-Dimethyl-9H-Xan&
- Molecular formula
- C55H36O5P2
- Molecular weight
- 838.82
Names & synonyms
349114-57-4(11bR,11'bR)-4,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin](11bS,11'bS)-4,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin](11bS,11'bS)-4,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin13-[5-(12,14-Dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-9,9-dimethylxanthen-4-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene1633760-36-74,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin]SCHEMBL422057R, R-Reetz X-Diphosphonite(11bR, 11'bR)-4,4'-(9,9-Dimethyl-9H-Xan&(11bR,11μbR)-4,4μ-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis-dinaphtho[2,1-d:1μ, 2μ-f][1,3,2]dioxaphosphepinDinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4,4'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis-, (11bR,11'bR)-
Show more names
(11bR,11′bR)-4,4′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis-dinaphtho[2,1-d:1′, 2′-f][1,3,2]dioxaphosphepin, CAS 349114-63-2(11bR,11′bR)-4,4′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis-dinaphtho[2,1-d:1′, 2′-f][1,3,2]dioxaphosphepin
Database identifiers
- CAS
349114-63-2- Nikkaji
- J1.630.133G
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,380
Physicochemical properties
- Melting point
- 198 · 198-217 °C
- form
- solid
- optical activity
- 22 · [α]22/D +270°, c = 1 in chloroform
- InChIKey
- DXZANFKSPAISOB-UHFFFAOYSA-N
- SMILES
- CC1(C)c2cccc(P3Oc4ccc5ccccc5c4-c6c(O3)ccc7ccccc67)c2Oc8c(cccc18)P9Oc%10ccc%11ccccc%11c%10-c%12c(O9)ccc%13ccccc%12%13
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesThis diphosphonite ligand has been successfully employed in Noyori-type asymmetric transfer hydrogenation of prochiral ketones.
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
Related reactions
0 records
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Linked notes
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