(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

(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]

HCID 178762243CAS 349114-63-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)c2cccc(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)c2Oc2c(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cccc21
InChIKey: DXZANFKSPAISOB-UHFFFAOYSA-N
分子式: C55H36O5P2
平均分子量: 838.8 g/mol

名称と識別子

優先名称: (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
現地名: (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
英語名: (11bR, 11'bR)-4,4'-(9,9-Dimethyl-9H-Xan&
分子式: C55H36O5P2
分子量: 838.82

名称と別名

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]SCHEMBL422057(11BR, 11′BR)-4,4′-9,9-DIMETHYL-9H-XANTHENE-4,5-DIYL)BIS-DINAPHTHO[2,1-D:1′, 2′-F][1,3,2]DIOXAPHOSPHEPINR, 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]dioxaphosphepin

名称をさらに表示

Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4,4'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis-, (11bR,11'bR)-(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

データベース識別子

CAS: 349114-63-2
Nikkaji: J1.630.133G

物性

構造計算による物性

XLogP: 15.3
極性表面積: 61.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 62
形式電荷: 0
複雑度: 1,380

物理化学的性質

融点: 198 · 198-217 °C
外見: solid
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

安全と法規制

安全データ

wgk: 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用This diphosphonite ligand has been successfully employed in Noyori-type asymmetric transfer hydrogenation of prochiral ketones.

サプライヤー2 社

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]